SCHEMBL29283803

SCHEMBL29283803

O=c1c2ccc(-c3ccccc3O)cc2ccn1Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 5/20 0.41
▸ TP53 P04637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CASR P41180 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ MKNK1 Q9BUB5 2/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GRM2 Q14416 1/20 0.37

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
SCHEMBL31006562 1.00 THRB (0.42) THRBKDM4EALDH1A1LMNATP53
SCHEMBL29283849 0.91 THRB (0.45) THRBKDM4EALDH1A1LMNATP53
SCHEMBL29283814 0.86 THRB (0.43) THRBKDM4EALDH1A1LMNATP53
SCHEMBL31006540 0.86 THRB (0.43) THRBKDM4EALDH1A1LMNATP53
SCHEMBL29283860 0.84 HSP90AB1 (0.46) THRBKDM4EALDH1A1LMNATP53
SCHEMBL31006542 0.84 HSP90AB1 (0.46) THRBKDM4EALDH1A1LMNATP53
SCHEMBL29283824 0.84 THRB (0.40) THRBALDH1A1LMNATP53POLB
SCHEMBL31006521 0.84 THRB (0.40) THRBALDH1A1LMNATP53POLB
SCHEMBL31006519 0.84 ESR1 (0.43) THRBKDM4EALDH1A1LMNATP53
SCHEMBL29283800 0.84 ESR1 (0.43) THRBKDM4EALDH1A1LMNATP53

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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