SCHEMBL7973996

SCHEMBL7973996

COc1ccc(C(=O)Nc2ncn(Cc3ccccc3)c2C(N)=O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.48
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CHEK1 O14757 2/20 0.48
MAPK8 P45983 2/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
AURKA O14965 1/20 0.48
DCLK1 O15075 1/20 0.48
MAPK13 O15264 1/20 0.48
PDPK1 O15530 1/20 0.48

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
SCHEMBL7974029 0.88 ADORA3 (0.50) NPC1ALDH1A1MAPTRAB9AMEN1
SCHEMBL7984937 0.87 ADORA3 (0.52) NPC1ALDH1A1MAPTRAB9AMEN1
SCHEMBL7974265 0.87 MCHR1 (0.47) POLBNPC1MAPTRAB9AMEN1
SCHEMBL7985249 0.85 MAPT (0.48) POLBNPC1ALDH1A1MAPTRAB9A
SCHEMBL7975241 0.85 GAA (0.50) POLBNPC1RAB9AHDAC1HDAC8
SCHEMBL7985033 0.83 NLRP3 (0.46) POLBNPC1ALDH1A1MAPTRAB9A
SCHEMBL7988231 0.83 NPC1 (0.47) NPC1RAB9AKMT2AHDAC1HDAC8
SCHEMBL7992192 0.83 HSD17B13 (0.46) POLBMAPTMEN1KMT2AKDM4E
SCHEMBL7985340 0.83 NTRK1 (0.51) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL7988029 0.83 IDO1 (0.47) POLBNPC1RAB9AHDAC1HDAC8

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