SCHEMBL7833902

SCHEMBL7833902

Cc1nc2[nH]c(=O)[nH]c(=O)c2nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
ADORA2A P29274 3/20 0.55
BLM P54132 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
ADORA2B P29275 2/20 0.55
HSD17B10 Q99714 2/20 0.55
RAB9A P51151 2/20 0.55
CYP1A2 P05177 1/20 0.55
PABPC1 P11940 1/20 0.55
CYP2C19 P33261 1/20 0.55
CASP7 P55210 1/20 0.55
PMP22 Q01453 1/20 0.55
PIK3CG P48736 1/20 0.55
POLB P06746 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL10979871 0.87 PIK3CG (0.68) KDM4EALDH1A1ADORA2ABLMTDP1
SCHEMBL8720542 0.76 KDM4E (0.53) KDM4EALDH1A1ADORA2ABLMTDP1
SCHEMBL31214529 0.73 ALDH1A1 (0.60) KDM4EALDH1A1ADORA2ABLMTDP1
SCHEMBL18805356 0.72 TDP1 (0.47) KDM4EALDH1A1TDP1HSD17B10RAB9A
SCHEMBL29467240 0.72 XDH (0.55) KDM4EALDH1A1ADORA2ABLMTDP1
SCHEMBL20798351 0.72 XDH (0.55) KDM4EALDH1A1ADORA2ABLMTDP1
Alloxazine SCHEMBL29516835 0.72 KDM4E (1.00) KDM4EALDH1A1ADORA2ABLMTDP1
Alloxazine SCHEMBL499075 0.72 KDM4E (1.00) KDM4EALDH1A1ADORA2ABLMTDP1
SCHEMBL10983379 0.71 KDM4E (0.74) KDM4EALDH1A1ADORA2ABLMTDP1
SCHEMBL3225296 0.71 KDM4E (0.74) KDM4EALDH1A1ADORA2ABLMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986561-A4 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION UNIV CALIFORNIA (US) 2001-06-13 EP disclosed
EP-1091960-A1 BIFUNCTIONAL ANTAGONISTS OF CYTOKINE-SENSITIVE PROTEIN KINASE ACTIVATION CASCADES AND METHODS FOR USE AS ANTI-INFLAMMATORY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-04-18 EP disclosed
EP-0986561-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION The Regents of the University of California (US) 2000-03-22 EP disclosed
WO-2000000491-A1 BIFUNCTIONAL ANTAGONISTS OF CYTOKINE-SENSITIVE PROTEIN KINASE ACTIVATION CASCADES AND METHODS FOR USE AS ANTI-INFLAMMATORY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-01-06 WO disclosed
WO-1998052948-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-11-26 WO disclosed
EP-0801568-A4 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION UNIV CALIFORNIA (US) 1998-02-25 EP disclosed
EP-0801568-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-10-22 EP disclosed