SCHEMBL8103391

SCHEMBL8103391

CCOC(=O)CN(C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HTT P42858 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.45
GLO1 Q04760 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IRAK1 P51617 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
AGTR1 P30556 1/20 0.44
ALOX12 P18054 1/20 0.44
TP53 P04637 1/20 0.44
ATM Q13315 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7417406 0.87 ALDH1A1 (0.70) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL7426611 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL7419641 0.83 ALDH1A1 (0.52) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL6607753 0.83 SMN1; SMN2 (0.57) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL9402668 0.80 KMT2A (0.56) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL7418231 0.79 ALDH1A1 (0.53) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL6158152 0.79 KMT2A (0.55) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL7416266 0.78 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL7426621 0.77 ALDH1A1 (0.53) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL7789901 0.77 TP53 (0.55) ALDH1A1HTTMEN1KMT2APKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716661-B1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS INC (US) 2000-04-05 EP disclosed
US-5817756-A USING A MODIFIED DI- OR TRI-PEPTIDES SCIOS INC. (US) 1998-10-06 US disclosed
EP-0716661-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1996-06-19 EP disclosed
WO-1995007294-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1995-03-16 WO disclosed