SCHEMBL7991269

SCHEMBL7991269

Cc1ccc(Cn2cnc(NC(=O)c3ccccc3F)c2C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
POLB P06746 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR3C1 P04150 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL7987851 0.92 LMNA (0.46) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7991521 0.91 ADORA3 (0.47) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7988763 0.89 NR1H4 (0.43) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7985375 0.85 KDM4E (0.47) TP53SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL7987920 0.85 TP53 (0.47) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7985361 0.83 P2RY14 (0.52) KDM4EALDH1A1CNR1CNR2CCNA2
SCHEMBL7988637 0.82 NPC1 (0.51) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7974240 0.82 RAB9A (0.47) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL7991586 0.82 SMN1; SMN2 (0.49) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7985249 0.80 MAPT (0.48) TP53SMN1; SMN2NPC1RAB9AKDM4E

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