SCHEMBL31362502

SCHEMBL31362502

CC(=O)c1cc(Br)cnc1CC#N

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 7/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ TSHR P16473 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAOA P21397 3/20 0.32
▸ MAOB P27338 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL21769766 0.81 OPRK1 (0.44) OPRK1TSHRHTTALDH1A1KDM4E
SCHEMBL21591650 0.79 PTGDR2 (0.40) OPRK1PTGDR2TSHRHTTMAOA
SCHEMBL29337246 0.72 OPRK1 (0.43) OPRK1PTGDR2TSHRHTTMAOA
SCHEMBL3369691 0.71 CYP11B1 (0.34) HTT
SCHEMBL14920257 0.71 PLAU (0.39) HTTALDH1A1KDM4E
SCHEMBL4172345 0.71 ALDH1A1 (0.35) HTTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL18068209 0.71 SMN1; SMN2 (0.52) OPRK1PTGDR2TSHRHTTMAOA
SCHEMBL9648890 0.69 OPRK1 (0.42) OPRK1PTGDR2TSHRHTTMAOA
SCHEMBL1600624 0.69 OPRK1 (0.42) OPRK1PTGDR2TSHRHTTMAOA
SCHEMBL11992010 0.69 HTT (0.50) OPRK1PTGDR2TSHRHTTMAOA

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
WO-2025034858-A1 FUSED PYRIDINES FOR THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2025-02-13 — — WO disclosed
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