SCHEMBL30512910

SCHEMBL30512910

C=CCOc1nn(CC=C)c2c(F)c(Br)ccc12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL16772015 0.68 CASP3 (0.42) ALDH1A1
SCHEMBL5447967 0.65 HPGD (0.43) ALDH1A1
SCHEMBL30512973 0.64 ALDH1A1 (0.43) ALDH1A1POLBRXFP1
SCHEMBL25408956 0.62 ALDH1A1 (0.38) ALDH1A1POLBRXFP1
SCHEMBL7818113 0.61 CNR1 (0.56) ALDH1A1POLB
SCHEMBL29669505 0.60 HTR2C (0.40) ALDH1A1
SCHEMBL12913014 0.59 CNR2 (0.70) ALDH1A1POLB
SCHEMBL12913013 0.59 CNR2 (0.45) POLB
SCHEMBL19128485 0.59 HPGD (0.41) ALDH1A1
SCHEMBL17459997 0.59 MAPT (0.42) ALDH1A1

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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