SCHEMBL9002046

SCHEMBL9002046

COc1ccc(N(CCSc2cccc3nccn23)C(N)=S)cc1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP4K2 Q12851 2/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAPT P10636 4/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CHRM4 P08173 1/20 0.30

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
SCHEMBL9002424 0.87 CDK8 (0.37) MAP4K2ALDH1A1
SCHEMBL9001997 0.87 CHEK1 (0.30) MAP4K2
SCHEMBL9001928 0.81 CDK8 (0.36) MAP4K2SMN1; SMN2ALDH1A1
SCHEMBL9001960 0.80 CDK8 (0.34) MAP4K2
SCHEMBL9001932 0.77 ALDH1A1 (0.34) MAP4K2NPSR1MAPTALDH1A1KDM4E
SCHEMBL9002232 0.77 CDK8 (0.37) MAP4K2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9002053 0.74 QPCT (0.48) NPC1RAB9ASMN1; SMN2MAPK1NPSR1
SCHEMBL9002396 0.73 CDK8 (0.34) MAP4K2RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9002610 0.71 HSD17B10 (0.34) MAP4K2RAB9AMAPTALDH1A1HSD17B10
SCHEMBL9002230 0.71 TP53 (0.33) RAB9ASMN1; SMN2TP53ALDH1A1

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-5587383-A CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-24 — — US disclosed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 — — EP disclosed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 — — US disclosed
US-5244908-A Calmodulin inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 — — US disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 — — EP disclosed
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