SCHEMBL25408956

SCHEMBL25408956

C=CCn1[nH]c(=O)c2ccc(Br)c(F)c21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL30512973 0.74 ALDH1A1 (0.43) ALDH1A1POLBRXFP1CASP1CASP7
SCHEMBL30512976 0.70 DUT (0.39) —
SCHEMBL10485243 0.66 GLS (0.57) ALDH1A1
SCHEMBL30057865 0.66 MEN1 (0.43) ALDH1A1KMT2A
SCHEMBL28540708 0.64 KMT2A (0.34) ALDH1A1POLBRXFP1KMT2A
SCHEMBL30512910 0.62 ALDH1A1 (0.33) ALDH1A1POLBRXFP1
SCHEMBL26948720 0.60 ALDH1A1 (0.45) ALDH1A1POLBRXFP1KMT2A
SCHEMBL25409117 0.57 DAO (0.41) ALDH1A1KMT2AHSD17B10
SCHEMBL21617924 0.57 KDM1A (0.38) ALDH1A1KMT2A
SCHEMBL1760473 0.56 ALOX5 (0.53) —

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-2023138612-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-27 — — WO disclosed
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