SCHEMBL5558101

SCHEMBL5558101

Cc1cc(NCc2ccc(NC(=O)c3cccc4c(N)cc(C)nc34)cc2)nc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD38 P28907 5/20 0.48
DNMT1 P26358 3/20 0.47
DNMT3L Q9UJW3 1/20 0.47
DNMT3A Q9Y6K1 1/20 0.47
OPRL1 P41146 10/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
OPRM1 P35372 5/20 0.43
OPRK1 P41145 5/20 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
SCHEMBL5558113 0.86 CD38 (0.44) CD38OPRL1PIK3CAMTOROPRM1
SCHEMBL3241944 0.80 DNMT1 (0.55) DNMT1DNMT3LDNMT3AOPRL1MEN1
SCHEMBL5559910 0.73 DNMT1 (0.45) DNMT1DNMT3LDNMT3AOPRL1PIK3CA
SCHEMBL5558076 0.70 HDAC1 (0.52) CD38MEN1KMT2A
SCHEMBL6128195 0.70 MEN1 (0.72) MEN1KMT2A
SCHEMBL20680339 0.69 CD38 (0.59) CD38
SCHEMBL5558936 0.69 DNMT1 (0.47) DNMT1DNMT3LDNMT3AOPRL1PIK3CA
SCHEMBL14818974 0.68 MEN1 (0.60) MEN1KMT2AOPRK1
SCHEMBL3243944 0.67 MMP9 (0.46) OPRL1MEN1KMT2AOPRM1OPRK1
SCHEMBL20680283 0.66 CD38 (0.84) CD38

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
EP-1509516-B1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-31 EP claimed