SCHEMBL8319767

SCHEMBL8319767

CSc1sc(C(=O)NCc2ccccn2)c2c1-c1nc(-c3ccccc3)sc1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
RAB9A P51151 4/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 3/20 0.44
POLB P06746 1/20 0.44
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
CDK19 Q9BWU1 2/20 0.43
HTT P42858 2/20 0.43
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
NAMPT P43490 1/20 0.43
SCD O00767 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 3/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6995342 0.88 CDC7 (0.50) LMNANPC1POLBCCNCCDK8
SCHEMBL6990002 0.87 NPC1 (0.53) RAB9ANPC1CCNCCDK8CDK19
SCHEMBL6988867 0.83 ALDH1A1 (0.51) RAB9ANPC1CCNCCDK8CDK19
SCHEMBL6992723 0.82 CCNC (0.49) RAB9ANPC1POLBCCNCCDK8
SCHEMBL6987743 0.81 HPGD (0.53) TSHRPOLBHTTSMN1; SMN2KMT2A
SCHEMBL6987742 0.79 HPGD (0.38) RAB9ANPC1CCNCCDK8CDK19
SCHEMBL6987226 0.78 CDC7 (0.53) ADORA2AKMT2AALDH1A1KDM4EHPGD
SCHEMBL6989907 0.78 CCNC (0.52) RAB9ALMNANPC1CCNCCDK8
SCHEMBL6997444 0.77 EPHX1 (0.43) LMNAPOLBNAMPTKMT2AALDH1A1
SCHEMBL6990917 0.77 NPC1 (0.41) RAB9ANPC1POLBCCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931074-A1 CONDENSED 4,5,6,7-TETRAHYDROBENZO C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION Takeda Chemical Industries, Ltd. (JP) 1999-07-28 EP disclosed
WO-1998009958-A1 CONDENSED 4,5,6,7-TETRAHYDROBENZO[C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-12 WO disclosed