SCHEMBL29283844

SCHEMBL29283844

COc1ccc(-c2ccc3c(=O)n(Cc4ccccc4F)ccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ MAPT P10636 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PTGER3 P43115 1/20 0.46
▸ GRM2 Q14416 2/20 0.45
▸ THRB P10828 2/20 0.44
▸ TP53 P04637 4/20 0.43
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL31006543 1.00 ROCK2 (0.49) ROCK2ROCK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29283823 0.91 ROCK2 (0.55) ROCK2ROCK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL31006528 0.91 ROCK2 (0.55) ROCK2ROCK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29283860 0.88 HSP90AB1 (0.46) ROCK2ROCK1MAPTALDH1A1GRM2
SCHEMBL31006542 0.88 HSP90AB1 (0.46) ROCK2ROCK1MAPTALDH1A1GRM2
SCHEMBL29283809 0.87 THRB (0.45) ROCK2ROCK1MAPTALDH1A1TDP1
SCHEMBL31006540 0.85 THRB (0.43) ROCK2ROCK1MAPTALDH1A1GRM2
SCHEMBL29283814 0.85 THRB (0.43) ROCK2ROCK1MAPTALDH1A1GRM2
SCHEMBL31006544 0.85 LMNA (0.46) ROCK2ROCK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29283799 0.85 LMNA (0.46) ROCK2ROCK1MAPTSMN1; SMN2ALDH1A1

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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