SCHEMBL7969216

SCHEMBL7969216

Cc1ccc(CCN(c2cnc[nH]2)c2cccc(C(=O)O)c2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 2/20 0.34
ABCC1 P33527 1/20 0.33
CYP19A1 P11511 3/20 0.33
NPC1 O15118 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
FNTA P49354 1/20 0.32
PGGT1B P53609 1/20 0.32
HMGB1 P09429 1/20 0.32

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) BRS3KMT2A
SCHEMBL7970889 0.77 TAAR1 (0.47)
SCHEMBL7969211 0.67 CPA1 (0.42) BRS3KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL7969213 0.66 FABP4 (0.37) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7971080 0.66 TAAR1 (0.47)
SCHEMBL10503730 0.63 MAPK1 (0.42) KMT2AALDH1A1SMN1; SMN2
SCHEMBL9450042 0.63 KDM4E (0.56) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6880258 0.62 KMT2A (0.52) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL729589 0.61 ALDH1A1 (0.57) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10505059 0.61 USP2 (0.44) KDM4EALDH1A1TP53

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