SCHEMBL7371817

SCHEMBL7371817

CC(c1ccccc1)n1c(=O)ccc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
BRPF1 P55201 1/20 0.50
CA9 Q16790 1/20 0.50
KAT2B Q92831 1/20 0.50
BRD9 Q9H8M2 1/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CREBBP Q92793 1/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
HPGD P15428 1/20 0.39
TP53 P04637 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
SCHEMBL11924989 0.82 CA12 (0.57) CA12BRD4BRPF1CA9KAT2B
SCHEMBL29941410 0.82 CA12 (0.57) CA12BRD4BRPF1CA9KAT2B
SCHEMBL27256571 0.79 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL1807118 0.79 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL5197627 0.79 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL6532204 0.74 MEN1 (0.42) BRD4MEN1KMT2AHSD17B10KDM4E
SCHEMBL28399521 0.74 CA12 (0.52) CA12BRD4BRPF1CA9KAT2B
SCHEMBL12330832 0.72 KDM4E (0.54) MEN1KMT2AHSD17B10KDM4ELMNA
SCHEMBL11656873 0.71 KMT2A (0.54) MEN1KMT2AHSD17B10CYP2D6KDM4E
SCHEMBL27900581 0.70 MEN1 (0.49) BRD4MEN1KMT2AHSD17B10CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995021824-A1 6-ARYL-(METHYL- OR METHYLIDENE)-QUINOL-2-ONE DERIVATIVES AS VOLTAGE GATED POTASSIUM CHANNEL BLOCKERS JOHN WYETH & BROTHER LTD (GB) 1995-08-17 WO claimed
WO-1995021823-A1 6-ARYL-(METHYL- OR METHYLIDENE)-QUINOLINE DERIVATIVES AS VOLTAGE-GATED POTASSIUM CHANNEL BLOCKERS JOHN WYETH & BROTHER LTD. (GB) 1995-08-17 WO disclosed