SCHEMBL7822136

SCHEMBL7822136

CCCc1nc2[nH]c(=O)[nH]c(=O)c2nc1CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
CASP7 P55210 2/20 0.47
CYP1A2 P05177 1/20 0.47
PABPC1 P11940 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
PMP22 Q01453 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 2/20 0.45
LMNA P02545 1/20 0.45
TYMP P19971 5/20 0.42

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
SCHEMBL23211192 0.77 MAPT (0.64) BLMTDP1KDM4EALDH1A1CASP7
SCHEMBL31214551 0.75 MAPT (0.62) BLMTDP1KDM4EALDH1A1CASP7
SCHEMBL8720542 0.72 KDM4E (0.53) BLMTDP1KDM4EALDH1A1CASP7
SCHEMBL27741354 0.70 MAPK1 (0.46) BLMTDP1KDM4EALDH1A1CASP7
SCHEMBL1150739 0.69 XDH (0.47) ALDH1A1ADORA2AADORA2BHSD17B10POLB
SCHEMBL5461026 0.68 LIG1 (0.44) BLMTDP1KDM4EALDH1A1CASP7
SCHEMBL21925027 0.68 GLA (0.57) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL1967035 0.67 TYMP (0.39) BLMTDP1KDM4EALDH1A1CASP7
SCHEMBL5089516 0.66 BLM (0.42) BLMTDP1KDM4EALDH1A1CASP7
Lumichrome SCHEMBL194906 0.66 BLM (0.64) BLMTDP1KDM4EALDH1A1CASP7

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-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