SCHEMBL9002230

SCHEMBL9002230

Cc1cn2c(SCCN(C(N)=S)c3ccccc3)cccc2n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL9001934 0.83 GAA (0.51) RAB9ASMN1; SMN2
SCHEMBL9002337 0.83 SMN1; SMN2 (0.38) TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9002424 0.80 CDK8 (0.37) ALDH1A1
SCHEMBL9001944 0.76 MAPK1 (0.43) TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9002014 0.74 CYP1A2 (0.35) TP53RAB9AHTTSMN1; SMN2ALDH1A1
SCHEMBL9001928 0.74 CDK8 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL9001997 0.71 CHEK1 (0.30) —
SCHEMBL9002046 0.71 MAP4K2 (0.32) TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9002232 0.69 CDK8 (0.37) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7835501 0.69 SMN1; SMN2 (0.35) TP53RAB9AHTTSMN1; SMN2ALDH1A1

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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