SCHEMBL9398232

SCHEMBL9398232

Nc1ccc(/C=C/c2ccc(N)cc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4A O75164 1/20 0.49
KDM4B O94953 1/20 0.49
CYP19A1 P11511 8/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
BACE1 P56817 1/20 0.40
APP P05067 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CASP3 P42574 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
SCHEMBL9398237 1.00 ALDH1A1 (0.53) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL31607968 0.83 CYP19A1 (0.57) ALDH1A1CYP19A1MAOAMAOBBACE1
SCHEMBL9798526 0.79 TSHR (0.52) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL9798531 0.79 TSHR (0.52) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL28231121 0.79 ALDH1A1 (0.60) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL2688564 0.77 ALDH1A1 (0.59) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL1603757 0.77 BACE1 (0.57) RECQLKDM4AKDM4BBACE1APP
SCHEMBL1603756 0.77 BACE1 (0.57) RECQLKDM4AKDM4BBACE1APP
SCHEMBL9798426 0.75 TDP1 (0.51) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL9798422 0.75 TDP1 (0.51) ALDH1A1CYP3A4ALOX15TDP1TSHR

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
US-5357015-A Glow discharge crosslinking of polysiloxane sol-gel glass or film BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 1994-10-18 US claimed