SCHEMBL7301192

SCHEMBL7301192

COc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.81
RAB9A P51151 6/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
TP53 P04637 4/20 0.81
ALOX15 P16050 2/20 0.81
MAPT P10636 3/20 0.73
TRPV1 Q8NER1 5/20 0.71
HDAC3 O15379 1/20 0.69
HDAC11 Q96DB2 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
ALDH1A1 P00352 3/20 0.67
LMNA P02545 3/20 0.67
APEX1 P27695 1/20 0.67
MAPK1 P28482 1/20 0.67
RECQL P46063 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
CYP1A2 P05177 2/20 0.66
KDM4E B2RXH2 1/20 0.66

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
SCHEMBL7304276 1.00 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.90 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL28563499 0.89 MAPK1 (0.67) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL7303163 0.88 HDAC3 (0.86) NPC1RAB9ASMN1; SMN2MAPTTRPV1
SCHEMBL5223218 0.87 NR1H4 (0.73) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL18739771 0.86 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6258773 0.86 MAPT (0.65) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL7296804 0.86 SMN1; SMN2 (0.77) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL2347796 0.86 ALDH1A1 (0.67) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL15149791 0.86 MAPT (0.62) NPC1RAB9ASMN1; SMN2TP53ALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed