SCHEMBL7974555

SCHEMBL7974555

NC(=O)c1c(NC(=O)c2cccnc2)ncn1Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HDAC2 Q92769 1/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPK1 P28482 1/20 0.42
EPHX2 P34913 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 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
SCHEMBL7984889 0.90 NPC1 (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7973841 0.88 RAB9A (0.47) HDAC1ALDH1A1RAB9ANPC1HDAC2
SCHEMBL7986413 0.87 HTT (0.52) HDAC1ALDH1A1RAB9ASMN1; SMN2HDAC2
SCHEMBL7984257 0.87 RAB9A (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7992620 0.85 NPC1 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7974172 0.85 HDAC3 (0.44) HDAC1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7985255 0.84 ALDH1A1 (0.51) HDAC1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7985361 0.82 P2RY14 (0.52) HDAC1ALDH1A1HDAC2KDM4E
SCHEMBL7988677 0.81 SMN1; SMN2 (0.51) HDAC1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7984455 0.81 ABCB1 (0.54) ALDH1A1SMN1; SMN2NPC1KMT2AKDM4E

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