SCHEMBL8788950

SCHEMBL8788950

Cc1ccc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
MAPK1 P28482 1/20 0.54
KMT2A Q03164 4/20 0.54
TRPM8 Q7Z2W7 2/20 0.53
KCNH2 Q12809 1/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.51
PKM P14618 1/20 0.51
MAOB P27338 1/20 0.48

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
SCHEMBL8789459 0.90 MAPK1 (0.68) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL8789867 0.89 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL8789913 0.87 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL8790649 0.82 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL8789438 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1RAB9ANPC1MAPK1
SCHEMBL8790726 0.78 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1LMNARAB9AMAPK1
SCHEMBL13056612 0.77 MAOB (0.56) ALDH1A1LMNAMAPK1KMT2AKDM4E
SCHEMBL11133530 0.76 PKM (0.64) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL3864570 0.76 PTGS2 (0.59) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL13056615 0.76 KMT2A (0.61) ALDH1A1LMNAKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 US disclosed
EP-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed