SCHEMBL7974172

SCHEMBL7974172

NC(=O)c1c(NC(=O)c2cccnc2)ncn1Cc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DPP4 P27487 1/20 0.42
LMNA P02545 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
HSD17B13 Q7Z5P4 1/20 0.40
HIF1A Q16665 1/20 0.40
ABCB1 P08183 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39

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
SCHEMBL7984751 0.90 NTRK1 (0.46) NPC1RAB9ALMNAHPGDHSD17B13
SCHEMBL7974555 0.85 HDAC1 (0.45) HDAC1HDAC2SMN1; SMN2NPC1RAB9A
SCHEMBL7987920 0.83 TP53 (0.47) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL7984889 0.81 NPC1 (0.46) SMN1; SMN2NPC1RAB9AGAAHPGD
SCHEMBL7988677 0.81 SMN1; SMN2 (0.51) HDAC3HDAC1HDAC2SMN1; SMN2NPC1
SCHEMBL7987938 0.79 KDM4E (0.44) RAB9ALMNAL3MBTL1ALDH1A1ADORA3
SCHEMBL7984257 0.78 RAB9A (0.48) SMN1; SMN2NPC1RAB9ALMNASIRT2
SCHEMBL7992620 0.78 NPC1 (0.53) SMN1; SMN2NPC1RAB9ASIRT2L3MBTL1
SCHEMBL7985108 0.78 EPHX2 (0.52) HDAC3HDAC1HDAC2SMN1; SMN2NPC1
SCHEMBL7985416 0.77 LMNA (0.50) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1

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