SCHEMBL10372154

SCHEMBL10372154

CC(=O)Nc1c(C#N)oc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
TSHR P16473 4/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.54
POLB P06746 4/20 0.54
KDM4E B2RXH2 4/20 0.53
HTT P42858 2/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.51
HTR2C P28335 1/20 0.49
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL31673199 0.84 KDM4E (0.54) SMN1; SMN2TSHRALDH1A1LMNAPOLB
SCHEMBL31673273 0.84 KDM4E (0.55) SMN1; SMN2TSHRALDH1A1LMNAPOLB
SCHEMBL31673288 0.84 KDM4E (0.50) SMN1; SMN2TSHRALDH1A1LMNAPOLB
SCHEMBL4508479 0.83 DHODH (0.50) SMN1; SMN2TSHRALDH1A1LMNAPOLB
SCHEMBL4508469 0.83 DHODH (0.50) SMN1; SMN2TSHRALDH1A1LMNAPOLB
SCHEMBL4508476 0.83 DHODH (0.50) SMN1; SMN2TSHRALDH1A1LMNAPOLB
SCHEMBL24846167 0.82 MAPT (0.44) SMN1; SMN2TSHRALDH1A1LMNAPOLB
SCHEMBL24845865 0.81 CYP1A2 (0.47) SMN1; SMN2TSHRALDH1A1LMNAPOLB
SCHEMBL24843063 0.81 TSHR (0.43) SMN1; SMN2TSHRALDH1A1LMNAPOLB
SCHEMBL24846097 0.81 ALDH1A1 (0.45) SMN1; SMN2TSHRALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP disclosed