SCHEMBL8703248

SCHEMBL8703248

CNc1ccc(C(=O)c2ccccc2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.58
ABCC8 Q09428 3/20 0.58
KCNJ11 Q14654 3/20 0.58
KCNJ8 Q15842 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CNR2 P34972 3/20 0.51
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SRD5A2 P31213 1/20 0.47
CDC25B P30305 1/20 0.47
USP2 O75604 1/20 0.46

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
SCHEMBL29892720 1.00 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8L3MBTL1
SCHEMBL28309931 0.86 L3MBTL1 (0.55) ABCC9ABCC8KCNJ11KCNJ8L3MBTL1
SCHEMBL9169544 0.83 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8L3MBTL1
SCHEMBL14088932 0.82 KDM5A (0.62) L3MBTL1TDP1PTGS2MAPTTSHR
SCHEMBL11267256 0.81 PRKCI (0.65) L3MBTL1ATMTDP1MAPTTSHR
SCHEMBL9470621 0.80 L3MBTL1 (0.48) ABCC9ABCC8KCNJ11KCNJ8L3MBTL1
SCHEMBL28409662 0.78 MEN1 (0.72) L3MBTL1ATMTDP1CNR2PTGS1
SCHEMBL1108312 0.78 PRKCI (0.65) MAPTKMT2ARAB9ANPC1
SCHEMBL31257839 0.77 L3MBTL1 (0.64) L3MBTL1ATMTDP1CNR2PTGS1
SCHEMBL142204 0.77 L3MBTL1 (0.64) L3MBTL1ATMTDP1CNR2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998025913-A1 NOVEL SUBSTITUTED 3H -BENZOXAZOLE-2-THIONES AND 3H -BENZOTHIAZOLE-2 THIONES DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1998-06-18 WO disclosed