SCHEMBL29283860

SCHEMBL29283860

O=c1c2ccc(-c3ccccc3)cc2ccn1Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ GRM2 Q14416 1/20 0.46
▸ LMNA P02545 6/20 0.44
▸ MKNK1 Q9BUB5 2/20 0.44
▸ MKNK2 Q9HBH9 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL31006542 1.00 HSP90AB1 (0.46) HSP90AB1THRBGRM2LMNAMKNK1
SCHEMBL29283809 0.94 THRB (0.45) HSP90AB1THRBGRM2LMNAMKNK1
SCHEMBL29283798 0.91 THRB (0.43) HSP90AB1THRBGRM2LMNAMKNK1
SCHEMBL29283814 0.91 THRB (0.43) HSP90AB1THRBGRM2LMNAMKNK1
SCHEMBL31006540 0.91 THRB (0.43) HSP90AB1THRBGRM2LMNAMKNK1
SCHEMBL29283862 0.90 GRM2 (0.47) HSP90AB1THRBGRM2LMNAMKNK1
SCHEMBL31006523 0.90 GRM2 (0.47) HSP90AB1THRBGRM2LMNAMKNK1
SCHEMBL31006549 0.89 THRB (0.42) HSP90AB1THRBGRM2LMNAMKNK1
SCHEMBL31006519 0.89 ESR1 (0.43) HSP90AB1THRBGRM2LMNAMKNK1
SCHEMBL29283800 0.89 ESR1 (0.43) HSP90AB1THRBGRM2LMNAMKNK1

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