SCHEMBL31006555

SCHEMBL31006555

O=c1c2ccc(-c3cccnc3)cc2ccn1Cc1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.64
▸ DHPS P49366 1/20 0.46
▸ ACHE P22303 2/20 0.43
▸ MKNK1 Q9BUB5 2/20 0.42
▸ MKNK2 Q9HBH9 2/20 0.42
▸ CYP11B1 P15538 3/20 0.42
▸ CYP11B2 P19099 3/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ ERN1 O75460 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ ADRB2 P07550 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
SCHEMBL29283822 1.00 GRM2 (0.64) GRM2DHPSACHEMKNK1MKNK2
SCHEMBL31006523 0.88 GRM2 (0.47) GRM2MKNK1MKNK2LMNATP53
SCHEMBL29283862 0.88 GRM2 (0.47) GRM2MKNK1MKNK2LMNATP53
SCHEMBL29283860 0.87 HSP90AB1 (0.46) GRM2MKNK1MKNK2LMNATP53
SCHEMBL31006542 0.87 HSP90AB1 (0.46) GRM2MKNK1MKNK2LMNATP53
SCHEMBL29283798 0.84 THRB (0.43) GRM2MKNK1MKNK2LMNATP53
SCHEMBL31006541 0.84 GRM2 (0.69) GRM2DHPSCYP11B1CYP11B2CYP17A1
SCHEMBL29283804 0.84 GRM2 (0.69) GRM2DHPSCYP11B1CYP11B2CYP17A1
SCHEMBL29283809 0.84 THRB (0.45) GRM2MKNK1MKNK2LMNATP53
SCHEMBL31006519 0.82 ESR1 (0.43) GRM2MKNK1MKNK2LMNATP53

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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