SCHEMBL7984200

SCHEMBL7984200

NC(=O)c1c(NC(=O)c2cccc(F)c2)ncn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 4/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ADORA3 P0DMS8 1/20 0.50
USP2 O75604 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KCNK3 O14649 1/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DCLK1 O15075 1/20 0.45
MAPK13 O15264 1/20 0.45
PDPK1 O15530 1/20 0.45
DAPK3 O43293 1/20 0.45
DYRK3 O43781 1/20 0.45

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
SCHEMBL7988506 0.94 NTRK1 (0.48) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL7991586 0.91 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL7975241 0.89 GAA (0.50) SMN1; SMN2NPC1RAB9AADORA3FLT3
SCHEMBL7984492 0.88 ADORA2A (0.53) ADORA3KCNK3CDC7AURKADAPK3
SCHEMBL7986770 0.88 NR1H4 (0.48) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL7973841 0.88 RAB9A (0.47) NPC1RAB9AMEN1KMT2AHSD17B13
SCHEMBL7985255 0.88 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7988686 0.88 NPC1 (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL7985033 0.87 NLRP3 (0.46) SMN1; SMN2NPC1RAB9AADORA3MEN1
SCHEMBL7985560 0.87 ADORA3 (0.52) ADORA3KCNK3AURKARPS6KB1KCNQ3

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