SCHEMBL29283802

SCHEMBL29283802

O=c1c2ccc(-c3cccnc3)cc2ccn1CCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 5/20 0.73
▸ HSP90AB1 P08238 1/20 0.64
▸ DHPS P49366 1/20 0.50
▸ HTR1D P28221 1/20 0.45
▸ CYP11B1 P15538 4/20 0.44
▸ CYP11B2 P19099 4/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ CYP17A1 P05093 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ ERN1 O75460 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41

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
SCHEMBL31006551 1.00 GRM2 (0.73) GRM2HSP90AB1DHPSHTR1DCYP11B1
SCHEMBL31006541 0.88 GRM2 (0.69) GRM2HSP90AB1DHPSHTR1DCYP11B1
SCHEMBL29283804 0.88 GRM2 (0.69) GRM2HSP90AB1DHPSHTR1DCYP11B1
SCHEMBL29283806 0.88 HSP90AB1 (0.76) GRM2HSP90AB1BACE1METAP2
SCHEMBL31006527 0.88 HSP90AB1 (0.76) GRM2HSP90AB1BACE1METAP2
SCHEMBL29283830 0.87 HSP90AB1 (0.68) GRM2HSP90AB1CYP11B1CYP11B2KDM4C
SCHEMBL31006559 0.87 HSP90AB1 (0.68) GRM2HSP90AB1CYP11B1CYP11B2KDM4C
SCHEMBL31006547 0.81 HSP90AB1 (0.67) GRM2HSP90AB1METAP2
SCHEMBL31006508 0.81 HSP90AB1 (0.67) GRM2HSP90AB1METAP2MAPT
SCHEMBL29283810 0.81 HSP90AB1 (0.67) GRM2HSP90AB1METAP2MAPT

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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