SCHEMBL6556053

SCHEMBL6556053

Cc1cc(C)cc(NC(=O)c2ccc(O)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.70
THRB P10828 1/20 0.66
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TP53 P04637 1/20 0.58
KMT2A Q03164 5/20 0.57
MEN1 O00255 3/20 0.57
SNCA P37840 1/20 0.57
HTT P42858 3/20 0.56
TDP1 Q9NUW8 2/20 0.55
GAA P10253 1/20 0.55
DEGS1 O15121 1/20 0.53
P2RX1 P51575 1/20 0.51
TMPRSS4 Q9NRS4 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13719742 0.89 NPC1 (0.74) THRBNPC1RAB9ALMNASMN1; SMN2
SCHEMBL10149367 0.85 NPC1 (0.73) NQO2THRBNPC1RAB9ASMN1; SMN2
SCHEMBL5604593 0.85 KMT2A (0.69) NQO2THRBNPC1RAB9ALMNA
SCHEMBL15427597 0.85 THRB (0.66) THRBNPC1RAB9ALMNASMN1; SMN2
SCHEMBL29107189 0.85 THRB (0.61) NQO2THRBNPC1RAB9ALMNA
SCHEMBL14363224 0.84 MEN1 (0.73) NQO2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL94626 0.84 THRB (0.64) NQO2THRBNPC1RAB9ALMNA
SCHEMBL12218322 0.84 SCN10A (0.65) THRBNPC1RAB9ALMNASMN1; SMN2
SCHEMBL6555948 0.83 RAB9A (0.85) NQO2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL7606680 0.83 RAB9A (0.85) NQO2NPC1RAB9ALMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468680-A2 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood Virginia Commonwealth University Intellectual Property Foundation, Inc. (US) 2004-10-20 EP disclosed
EP-0585366-B1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD UNIV VIRGINIA COMMONWEALTH (US) 2004-04-28 EP disclosed
EP-1236711-B1 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood UNIV VIRGINIA COMMONWEALTH (US) 2004-03-03 EP disclosed
EP-1236711-A2 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood Virginia Commonwealth University Intellectual Property Foundation, Inc. (US) 2002-09-04 EP disclosed
US-6214879-B1 Allosteric inhibitors of pyruvate kinase VIRGINIA COMMONWEALTH UNIVERSITY 2001-04-10 US disclosed
WO-1999048490-A1 ALLOSTERIC INHIBITORS AND ACTIVATORS OF PYRUVATE KINASE ALLOS THERAPEUTICS, INC. (US) 1999-09-30 WO disclosed
US-5927283-A TREATING DISEASES INVOLVING OXYGEN DEFICIENCY, IN WOUND HEALING, AND IN RESTORING OXYGEN AFFINITY OF STORED BLOOD. VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-07-27 US disclosed
US-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 US disclosed
US-5731454-A Allosteric modifiers of hemoglobin useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-03-24 US disclosed
US-5705521-A Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-01-06 US disclosed
EP-0585366-A1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-03-09 EP disclosed
US-5290803-A Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood THE CENTER OF INNOVATIVE TECHNOLOGY (US) 1994-03-01 US disclosed
US-5250701-A 2-(Phthalomidomethylphenoxyalkanoic acid or ester; wound healing agents; antiischemic agents; blood storage; antidepressants; Alzheimer's disease; schizophrenia CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-10-05 US disclosed
US-5248785-A Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-09-28 US disclosed
WO-1992020335-A1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-11-26 WO disclosed
EP-0471811-A4 ALLOSTERIC HEMOGLOBIN MODIFIERS 1992-11-25 EP disclosed
US-5122539-A Allosteric hemoglobin modifiers useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-06-16 US disclosed
EP-0471811-A1 ALLOSTERIC HEMOGLOBIN MODIFIERS. INNOVATIVE TECH CENTER (US) 1992-02-26 EP disclosed
US-5049695-A Substituted diphenyl carbamates CENTER FOR INNOVATIVE TECHNOLOGY (US) 1991-09-17 US disclosed
WO-1991012235-A1 ALLOSTERIC HEMOGLOBIN MODIFIERS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1991-08-22 WO disclosed