SCHEMBL26070271

SCHEMBL26070271

C=C(C)c1sc(-c2ccc(Cl)cn2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ ADORA1 P30542 1/20 0.31
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL18005041 0.85 CASP3 (0.52) CASP3SENP8SENP7SENP6
SCHEMBL16399047 0.84 GRM5 (0.33) ADORA1GRM5
SCHEMBL18005159 0.82 CYP1A1 (0.33) ADORA1GRM5
SCHEMBL18005118 0.71 GRM5 (0.34) GRM5
SCHEMBL18005120 0.69 GRM5 (0.33) GRM5
SCHEMBL18004635 0.69 GRM5 (0.40) GRM5
SCHEMBL16398564 0.69 ALDH1A1 (0.40) —
SCHEMBL18004614 0.68 GRM5 (0.41) ADORA1GRM5
SCHEMBL16399408 0.68 APEX1 (0.45) CASP3SENP8SENP7SENP6
SCHEMBL16398878 0.67 ALDH1A1 (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
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