SCHEMBL7475660

SCHEMBL7475660

CCOc1ccc(NC(=O)C(O)c2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.53
PKM P14618 2/20 0.53
MITF O75030 1/20 0.53
MAPT P10636 7/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 3/20 0.52
CYP1A2 P05177 2/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 2/20 0.50
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL5425661 0.86 ROCK2 (0.55) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL7472046 0.82 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL7469978 0.82 ROCK2 (0.50) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL31202594 0.82 POLB (0.53) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL5427086 0.82 KMT2A (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL31202737 0.81 GLS (0.52) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL7470117 0.79 GLS (0.48) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL29522056 0.79 GLS (0.48) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11847456 0.78 MAPT (0.72) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL26488 0.77 MAPT (0.65) NPC1RAB9ASMN1; SMN2KDM4EMAPT

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
EP-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 WO disclosed