SCHEMBL31006549

SCHEMBL31006549

O=c1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2ccn1Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.42
▸ DDR1 Q08345 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MKNK1 Q9BUB5 2/20 0.41
▸ MKNK2 Q9HBH9 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ ERBB2 P04626 3/20 0.39
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL29283818 1.00 THRB (0.42) THRBDDR1LMNAMKNK1MKNK2
SCHEMBL31006560 0.91 HSP90AB1 (0.41) THRBDDR1LMNAMKNK1MKNK2
SCHEMBL29283826 0.91 HSP90AB1 (0.41) THRBDDR1LMNAMKNK1MKNK2
SCHEMBL31006542 0.89 HSP90AB1 (0.46) THRBLMNAMKNK1MKNK2TP53
SCHEMBL29283860 0.89 HSP90AB1 (0.46) THRBLMNAMKNK1MKNK2TP53
SCHEMBL29283809 0.88 THRB (0.45) THRBLMNAMKNK1MKNK2TP53
SCHEMBL31006523 0.87 GRM2 (0.47) THRBLMNAMKNK1MKNK2TP53
SCHEMBL29283862 0.87 GRM2 (0.47) THRBLMNAMKNK1MKNK2TP53
SCHEMBL31006540 0.86 THRB (0.43) THRBLMNAMKNK1MKNK2TP53
SCHEMBL29283814 0.86 THRB (0.43) THRBLMNAMKNK1MKNK2TP53

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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