SCHEMBL29283826

SCHEMBL29283826

O=c1c2ccc(-c3cccc(C(F)(F)F)c3)cc2ccn1Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.41
▸ PGR P06401 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ DDR1 Q08345 2/20 0.40
▸ MKNK1 Q9BUB5 2/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ BAD Q92934 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL31006560 1.00 HSP90AB1 (0.41) HSP90AB1PGRTHRBGRM2LMNA
SCHEMBL29283818 0.91 THRB (0.42) HSP90AB1THRBGRM2LMNATP53
SCHEMBL31006549 0.91 THRB (0.42) HSP90AB1THRBGRM2LMNATP53
SCHEMBL31006542 0.87 HSP90AB1 (0.46) HSP90AB1THRBGRM2LMNATP53
SCHEMBL29283860 0.87 HSP90AB1 (0.46) HSP90AB1THRBGRM2LMNATP53
SCHEMBL29283798 0.86 THRB (0.43) HSP90AB1THRBGRM2LMNATP53
SCHEMBL31006548 0.85 MAPT (0.53) HSP90AB1PGRGRM2LMNATP53
SCHEMBL29283846 0.85 MAPT (0.53) HSP90AB1PGRGRM2LMNATP53
SCHEMBL31006519 0.84 ESR1 (0.43) HSP90AB1THRBGRM2LMNATP53
SCHEMBL29283800 0.84 ESR1 (0.43) HSP90AB1THRBGRM2LMNATP53

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
CN-118184635-A Quinolinone compound, pharmaceutical composition and application thereof 安徽医科大学 2024-06-14 — — CN disclosed
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