SCHEMBL7958185

SCHEMBL7958185

CN(c1cccc(C(=O)O)c1O)c1cncn1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.39
CYP11B2 P19099 7/20 0.39
IDO1 P14902 1/20 0.39
CHRM1 P11229 3/20 0.39
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
HNF4A P41235 1/20 0.36
CYP19A1 P11511 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
PGGT1B P53609 1/20 0.35

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
SCHEMBL7973956 0.91 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBKDM4C
SCHEMBL7969213 0.91 FABP4 (0.37) CYP11B1CYP11B2
SCHEMBL7973955 0.89 PDE5A (0.32) CYP11B1CYP11B2IDO1AGTR1AGTR2
SCHEMBL7984767 0.72 KDM4C (0.36) CYP11B1CYP11B2IDO1CHRM1FNTA
SCHEMBL27353030 0.70 CYP11B1 (0.54) CYP11B1CYP11B2IDO1CHRM1CYP19A1
SCHEMBL683433 0.66 AGTR1 (0.54) CYP11B1CYP11B2AGTR1AGTR2
SCHEMBL4793837 0.66 CYP11B1 (0.58) CYP11B1CYP11B2CHRM1AGTR1AGTR2
SCHEMBL7958189 0.65 FNTA (0.42) FNTAHNF4AKDM4CKDM5BPGGT1B
SCHEMBL729589 0.64 ALDH1A1 (0.57) MMP2HNF4A
SCHEMBL2551563 0.63 AGTR1 (0.47) FNTAFNTBAGTR1AGTR2PGGT1B

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
WO-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed