SCHEMBL7985249

SCHEMBL7985249

COc1ccccc1C(=O)Nc1ncn(Cc2ccccc2)c1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 3/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
CTSD P07339 1/20 0.46
BCHE P06276 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CDC7 O00311 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
SCHEMBL7973996 0.85 POLB (0.49) MAPTMAPK1NPC1RAB9AMEN1
SCHEMBL7992520 0.84 POLB (0.47) MAPTTSHRHPGDBCHENPC1
SCHEMBL7991521 0.84 ADORA3 (0.47) MAPTTSHRTP53NPC1RAB9A
SCHEMBL7974029 0.83 ADORA3 (0.50) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2145570 0.82 MAPT (0.53) MAPTTSHRMAPK1TP53NPC1
SCHEMBL7974265 0.82 MCHR1 (0.47) MAPTTP53NPC1RAB9AMEN1
SCHEMBL7975241 0.82 GAA (0.50) TSHRNPC1RAB9AGAASMN1; SMN2
SCHEMBL7985832 0.81 TSHR (0.47) MAPTTSHRMAPK1HPGDNPC1
SCHEMBL7988231 0.81 NPC1 (0.47) NPC1RAB9AKMT2A
SCHEMBL7988350 0.81 GAA (0.51) TSHRHPGDMEN1KMT2AGAA

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