SCHEMBL28320396

SCHEMBL28320396

O=C(c1ccccc1O)n1c(=O)ccc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.44
HPGD P15428 6/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HMGB1 P09429 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CA14 Q9ULX7 1/20 0.44
BRD4 O60885 1/20 0.43
BRPF1 P55201 1/20 0.43
KAT2B Q92831 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
MAOB P27338 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
SCHEMBL6195893 0.80 RAB9A (0.56) HPGDALDH1A1CA12CA9SMN1; SMN2
SCHEMBL30804587 0.80 RAB9A (0.56) HPGDALDH1A1CA12CA9SMN1; SMN2
SCHEMBL6581393 0.79 CA12 (0.52) KDM4EALDH1A1CA12CA9BRD4
SCHEMBL10662835 0.77 CA12 (0.53) KDM4EALDH1A1CA12CA9BRD4
SCHEMBL6568800 0.74 CA12 (0.55) HPGDKDM4EALDH1A1CA12CA9
SCHEMBL30672091 0.74 CA12 (0.55) HPGDKDM4EALDH1A1CA12CA9
SCHEMBL1366107 0.74 MAOB (0.60) HPGDKDM4EALDH1A1CA12CA9
SCHEMBL1368083 0.74 CA12 (0.60) CA12CA9CA1CA2CA4
SCHEMBL5722231 0.71 ADORA3 (0.48) KDM4EALDH1A1CA12CA9SMN1; SMN2
SCHEMBL30321500 0.70 CA12 (0.50) CA12CA9BRD4BRPF1KAT2B

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-110143918-A - 2 (1H)-quinolinone activity skeleton of 3,4- dihydro -3- (2- (2-hydroxybenzoyl)) and synthetic method and application 青岛农业大学 2019-08-20 CN disclosed