SCHEMBL7994633

SCHEMBL7994633

CN(CCc1ccc(O)c(O)c1)C(=O)/C=C/c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
ALDH1A1 P00352 1/20 0.46
APP P05067 2/20 0.46
GSK3B P49841 1/20 0.46
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
NAMPT P43490 2/20 0.42
PFKFB3 Q16875 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41

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
SCHEMBL7994636 1.00 RAB9A (0.46) RAB9ANPC1KDM4EMAPTJUN
SCHEMBL6166697 0.84 CYP1A1 (0.58) RAB9AKDM4EMAPTMAPK1ALDH1A1
SCHEMBL6166690 0.84 CYP1A1 (0.58) RAB9AKDM4EMAPTMAPK1ALDH1A1
SCHEMBL6140546 0.83 APP (0.56) KDM4EMAPTJUNNFKB1MAPK1
SCHEMBL6140549 0.83 APP (0.56) KDM4EMAPTJUNNFKB1MAPK1
SCHEMBL6166947 0.80 CYP1A1 (0.53) RAB9ANPC1KDM4EMAPTJUN
SCHEMBL6166941 0.80 CYP1A1 (0.53) RAB9ANPC1KDM4EMAPTJUN
Hydrochloric Acid SCHEMBL6166154 0.79 CYP1A1 (0.52) RAB9ANPC1KDM4EMAPTJUN
Hydrochloric Acid SCHEMBL6166145 0.79 CYP1A1 (0.52) RAB9ANPC1KDM4EMAPTJUN
SCHEMBL21895554 0.75 RAB9A (0.51) RAB9ANPC1KDM4EMAPTJUN

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
US-6313153-B1 ADMINISTERING PYRIDYLACRYLAMIDE COMPOUND FOR THERAPY OF NEPHRITIS TSUMURA & CO. (JP) 2001-11-06 US disclosed
EP-1000935-A1 PYRIDYLACRYLAMIDE DERIVATIVES AND NEPHRITIS REMEDIES AND TGF-$g(b) INHIBITORS CONTAINING THE SAME TSUMURA & CO. (JP) 2000-05-17 EP disclosed