SCHEMBL7974029

SCHEMBL7974029

COc1ccc(C(=O)Nc2ncn(Cc3ccccc3)c2C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 1/20 0.46
F2 P00734 1/20 0.46
HDAC2 Q92769 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL7988231 0.96 NPC1 (0.47) ADORA3NPC1RAB9AADORA1KMT2A
SCHEMBL7974265 0.91 MCHR1 (0.47) ADORA3NPC1RAB9AMAPTL3MBTL1
SCHEMBL7975241 0.89 GAA (0.50) ADORA3NPC1RAB9AADORA2AADORA1
SCHEMBL7985340 0.89 NTRK1 (0.51) ADORA3NPC1RAB9AMAPTKMT2A
SCHEMBL7984937 0.89 ADORA3 (0.52) ADORA3NPC1RAB9AMAPTKMT2A
SCHEMBL7973996 0.88 POLB (0.49) ADORA3NPC1RAB9AMAPTKMT2A
SCHEMBL7988029 0.87 IDO1 (0.47) ADORA3NPC1RAB9AHDAC1HDAC6
SCHEMBL7985255 0.86 ALDH1A1 (0.51) NPC1RAB9AMAPTL3MBTL1KMT2A
SCHEMBL7985682 0.84 GAA (0.46) RAB9AMAPTKMT2AKDM4EALDH1A1
SCHEMBL7985249 0.83 MAPT (0.48) NPC1RAB9AMAPTL3MBTL1KMT2A

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