SCHEMBL4802192

SCHEMBL4802192

CCOC(=O)c1c(CC)nc2c(cnn2Cc2ccc(OC)cc2)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.49
PDE1A P54750 3/20 0.47
PDE1B Q01064 3/20 0.47
PDE1C Q14123 3/20 0.47
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE4B Q07343 1/20 0.46
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 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
SCHEMBL12604349 0.90 UCHL1 (0.51) UCHL1PDE1APDE1BPDE1CGAA
SCHEMBL1363026 0.85 KMT2A (0.52) ALDH1A1USP2MAPK1NPSR1HSD17B10
SCHEMBL12604334 0.82 UCHL1 (0.51) UCHL1PDE1APDE1BPDE1CGAA
SCHEMBL587425 0.81 PDE4B (0.60) UCHL1GAAALDH1A1PDE4BMAPT
SCHEMBL4930818 0.76 KMT2A (0.53) ALDH1A1USP2MAPK1NPSR1HSD17B10
SCHEMBL8229160 0.76 PDE4B (0.42) ALDH1A1KDM4EUSP2HPGDMAPK1
SCHEMBL582644 0.74 PDE4B (0.60) UCHL1PDE1APDE1BPDE1CGAA
SCHEMBL1695262 0.74 MAT2A (0.61) UCHL1PDE1APDE1BPDE1CGAA
SCHEMBL221404 0.73 ALDH1A1 (0.63) ALDH1A1KDM4EUSP2HPGDMAPK1
SCHEMBL12604343 0.73 LMNA (0.48) PDE1APDE1BPDE1CALDH1A1HPGD

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
WO-2008075007-A1 MORPHOLINO-SUBSTITUTED BICYCLOHETEROARYL COMPOUNDS AND THEIR USE AS ANTI CANCER AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO disclosed