SCHEMBL7985708

SCHEMBL7985708

NC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)ncn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SRC P12931 1/20 0.47
SLC6A12 P48065 1/20 0.46
BCHE P06276 1/20 0.46
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
AURKB Q96GD4 1/20 0.45
KDM4E B2RXH2 5/20 0.44
CYP2C19 P33261 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 3/20 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
SCHEMBL7992520 0.89 POLB (0.47) NPC1RAB9ASRCBCHEKDM4E
SCHEMBL7988029 0.84 IDO1 (0.47) NPC1RAB9ABCHESMN1; SMN2GAA
SCHEMBL7984492 0.84 ADORA2A (0.53) AURKAAURKBKDM4EALDH1A1
SCHEMBL7974040 0.83 KDM4E (0.51) NPC1RAB9AKDM4EALDH1A1NTRK1
SCHEMBL7974581 0.82 LMNA (0.51) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL7989385 0.82 PPARG (0.47) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL7975241 0.82 GAA (0.50) NPC1RAB9ASMN1; SMN2NTRK1GAA
SCHEMBL7985375 0.82 KDM4E (0.47) RAB9AAURKAAURKBKDM4ESMN1; SMN2
SCHEMBL7991521 0.81 ADORA3 (0.47) NPC1RAB9AAURKAAURKBKDM4E
SCHEMBL7985506 0.80 GAA (0.48) BCHEKDM4ESMN1; SMN2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed