SCHEMBL5707015

SCHEMBL5707015

Cc1cc(CNCc2ccccn2)c(O)c(CNCc2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 1/20 0.50
CHRM2 P08172 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CCR5 P51681 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL24870873 0.89 L3MBTL1 (0.44) L3MBTL1KDM4EKMT2ACHRM2ALDH1A1
SCHEMBL22229887 0.78 CHRM2 (0.44) L3MBTL1KDM4EKMT2ACHRM2ALDH1A1
SCHEMBL5569292 0.78 L3MBTL1 (0.62) L3MBTL1KDM4EKMT2ACHRM2ALDH1A1
SCHEMBL29438821 0.78 CHRM2 (0.70) L3MBTL1KDM4EKMT2ACHRM2ALDH1A1
SCHEMBL230222 0.78 CHRM2 (0.70) L3MBTL1KDM4EKMT2ACHRM2ALDH1A1
SCHEMBL5028858 0.78 TSHR (0.66) L3MBTL1KDM4EKMT2ACHRM2ALDH1A1
SCHEMBL13555678 0.78 KDM4E (0.58) L3MBTL1KDM4EKMT2ACHRM2ALDH1A1
SCHEMBL24871014 0.77 GAA (0.51) L3MBTL1KDM4EKMT2ACHRM2ALDH1A1
SCHEMBL18695436 0.77 GAA (0.47) L3MBTL1KDM4EKMT2ACHRM2ALDH1A1
SCHEMBL317984 0.76 CHRM2 (0.68) L3MBTL1KDM4EKMT2ACHRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114836-B1 PROCESS FOR PRODUCING A RESIN COMPOSITION NAT INST OF ADVANCED IND SCIEN (JP) 2006-11-08 EP disclosed
US-6344516-B1 TRANSITION METAL COMPLEX CATALYST, OXIDATATIVE POLYMERIZATION OF PHENOL-CONTAINING VEGETABLE OIL NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-02-05 US disclosed
EP-1114836-A1 RESIN COMPOSITION AND PROCESS FOR PRODUCING THE SAME Japan as represented by Secretary of Agency of Industrial Science and Technology (JP) 2001-07-11 EP disclosed