SCHEMBL7984937

SCHEMBL7984937

COc1cccc(C(=O)Nc2ncn(Cc3ccccc3)c2C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
CDC7 O00311 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
ROCK2 O75116 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
PRKACA P17612 1/20 0.48
CDK2 P24941 1/20 0.48
FLT3 P36888 1/20 0.48
CSNK1A1 P48729 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
SCHEMBL7985340 0.94 NTRK1 (0.51) ADORA3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7974265 0.92 MCHR1 (0.47) ADORA3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7984965 0.91 ALDH1A1 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7974029 0.89 ADORA3 (0.50) ADORA3MEN1KMT2ANPC1RAB9A
SCHEMBL7988231 0.89 NPC1 (0.47) ADORA3KMT2ANPC1RAB9AKCNK9
SCHEMBL7984687 0.89 NR1H4 (0.52) MEN1KMT2AMAPTALDH1A1
SCHEMBL7974205 0.87 NR1H4 (0.52) MEN1KMT2AALDH1A1
SCHEMBL7973996 0.87 POLB (0.49) ADORA3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7985033 0.87 NLRP3 (0.46) ADORA3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7975241 0.86 GAA (0.50) ADORA3SMN1; SMN2NPC1RAB9ALMNA

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