SCHEMBL7985340

SCHEMBL7985340

COc1cccc(Cn2cnc(NC(=O)c3ccccc3)c2C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.51
P2RY14 Q15391 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NLRP3 Q96P20 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ADRA1D P25100 1/20 0.45
ABCB1 P08183 1/20 0.44
VNN1 O95497 1/20 0.44
PTGER4 P35408 1/20 0.44
LMNA P02545 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL7984937 0.94 ADORA3 (0.52) NPC1RAB9AADORA3KCNK3KCNK9
SCHEMBL7984455 0.90 ABCB1 (0.54) NPC1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7974029 0.89 ADORA3 (0.50) NPC1RAB9AADORA3MEN1KMT2A
SCHEMBL7988231 0.89 NPC1 (0.47) NPC1RAB9AADORA3KCNK9KMT2A
SCHEMBL7974265 0.88 MCHR1 (0.47) NPC1RAB9AADORA3MEN1KMT2A
SCHEMBL7988637 0.87 NPC1 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7975241 0.86 GAA (0.50) NTRK1NPC1RAB9AADORA3SMN1; SMN2
SCHEMBL7992368 0.86 TP53 (0.47) RAB9AMEN1KMT2AMAPTADRA1D
SCHEMBL7984965 0.85 ALDH1A1 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7974040 0.85 KDM4E (0.51) NTRK1P2RY14NPC1RAB9AADORA3

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