SCHEMBL7958189

SCHEMBL7958189

O=C(O)c1cccc(N(CCc2ccc(-c3ccccc3)cc2)c2cnc[nH]2)c1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.42
PGGT1B P53609 2/20 0.42
HCAR2 Q8TDS4 7/20 0.40
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
BRS3 P32247 2/20 0.38
HNF4A P41235 1/20 0.36
HDAC1 Q13547 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
ACMSD Q8TDX5 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
SCHEMBL7973958 0.89 LMNA (0.38) HRH4HRH3BRS3KDM4CKDM5B
SCHEMBL7969216 0.89 BRS3 (0.37) FNTAPGGT1BHCAR2BRS3
SCHEMBL7958183 0.67 CPA1 (0.46) FNTAPGGT1BHCAR2HDAC1KDM4C
SCHEMBL7971080 0.66 TAAR1 (0.47)
SCHEMBL7970889 0.66 TAAR1 (0.47)
SCHEMBL7958185 0.65 CYP11B1 (0.39) FNTAPGGT1BHNF4AKDM4CKDM5B
SCHEMBL10503730 0.61 MAPK1 (0.42) KDM4CCYP2C9
SCHEMBL9786926 0.60 HNF4A (0.92) HNF4AACMSD
SCHEMBL14100191 0.59 ALDH1A1 (0.53) HNF4ACYP2C9
SCHEMBL27896433 0.59 ABCC1 (0.52)

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