SCHEMBL29283798

SCHEMBL29283798

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.43
▸ GRM2 Q14416 1/20 0.43
▸ LMNA P02545 4/20 0.42
▸ MKNK1 Q9BUB5 2/20 0.42
▸ MKNK2 Q9HBH9 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ICMT O60725 1/20 0.38
▸ PTGER3 P43115 3/20 0.37
▸ RXFP1 Q9HBX9 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
SCHEMBL29283860 0.91 HSP90AB1 (0.46) THRBGRM2LMNAMKNK1MKNK2
SCHEMBL31006542 0.91 HSP90AB1 (0.46) THRBGRM2LMNAMKNK1MKNK2
SCHEMBL29283809 0.90 THRB (0.45) THRBGRM2LMNAMKNK1MKNK2
SCHEMBL29283800 0.88 ESR1 (0.43) THRBGRM2LMNAMKNK1MKNK2
SCHEMBL31006519 0.88 ESR1 (0.43) THRBGRM2LMNAMKNK1MKNK2
SCHEMBL31006560 0.86 HSP90AB1 (0.41) THRBGRM2LMNAMKNK1MKNK2
SCHEMBL29283826 0.86 HSP90AB1 (0.41) THRBGRM2LMNAMKNK1MKNK2
SCHEMBL29283814 0.86 THRB (0.43) THRBGRM2LMNAMKNK1MKNK2
SCHEMBL31006540 0.86 THRB (0.43) THRBGRM2LMNAMKNK1MKNK2
SCHEMBL31006528 0.85 ROCK2 (0.55) THRBGRM2LMNATP53ROCK2

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
Send feedback