SCHEMBL7988686

SCHEMBL7988686

NC(=O)c1c(NC(=O)c2cccc(F)c2)ncn1CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KCNK3 O14649 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 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
SCHEMBL7984506 0.90 EHMT2 (0.43) NPC1SMN1; SMN2RAB9ASIRT2SIRT1
SCHEMBL7973823 0.89 NPC1 (0.48) NPC1RAB9ASIRT2SIRT1SIRT3
SCHEMBL7984200 0.88 SMN1; SMN2 (0.53) NPC1SMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL7991860 0.84 ADORA2A (0.46) NPC1SMN1; SMN2RAB9ASIRT2SIRT1
SCHEMBL7988506 0.84 NTRK1 (0.48) NPC1SMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL7985108 0.83 EPHX2 (0.52) NPC1SMN1; SMN2RAB9ASIRT2SIRT1
SCHEMBL7987763 0.83 RAB9A (0.44) NPC1SMN1; SMN2RAB9ASIRT2SIRT1
SCHEMBL7991586 0.79 SMN1; SMN2 (0.49) NPC1SMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL7974138 0.78 KMT2A (0.52) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7988677 0.78 SMN1; SMN2 (0.51) NPC1SMN1; SMN2RAB9ASIRT2SIRT1

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