SCHEMBL9002337

SCHEMBL9002337

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ F10 P00742 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SLC2A2 P11168 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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 0.86 GAA (0.51) SMN1; SMN2RAB9AGAARXFP1KDM4E
SCHEMBL9002230 0.83 TP53 (0.33) SMN1; SMN2TP53RAB9AALDH1A1
SCHEMBL9001985 0.82 F10 (0.42) TP53RAB9AGAAF10RXFP1
SCHEMBL9002349 0.78 MAPT (0.44) SMN1; SMN2TP53RAB9AGAAALDH1A1
SCHEMBL9001944 0.78 MAPK1 (0.43) SMN1; SMN2TP53RAB9AGAARXFP1
SCHEMBL9002614 0.75 F10 (0.41) TP53RAB9AGAAF10RXFP1
SCHEMBL9002424 0.72 CDK8 (0.37) ALDH1A1
SCHEMBL9001917 0.71 F10 (0.48) SMN1; SMN2GAAF10RXFP1ALDH1A1
SCHEMBL7982683 0.71 GAA (0.47) GAAF10RXFP1ALDH1A1HPGD
SCHEMBL20596633 0.69 GAA (0.47) SMN1; SMN2GAAF10RXFP1ALDH1A1

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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