SCHEMBL6178938

SCHEMBL6178938

NC(=O)c1ccccc1-c1cc2ccccc2cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
BCAT2 O15382 1/20 0.51
ALOX5AP P20292 1/20 0.48
FEN1 P39748 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PARP1 P09874 5/20 0.46
CSNK1A1 P48729 1/20 0.45
TYRO3 Q06418 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
GRM5 P41594 1/20 0.45
PLAU P00749 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
BTK Q06187 1/20 0.42

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
SCHEMBL6616895 0.80 PARP1 (0.50) NPC1KDM4EALDH1A1GAAPARP1
SCHEMBL3100405 0.80 NPC1 (0.50) NPC1KDM4EPARP1GRM5PLAU
SCHEMBL30039613 0.80 CSNK1A1 (0.49) BCAT2ALOX5APFEN1PARP1CSNK1A1
SCHEMBL28271036 0.78 NPC1 (0.74) NPC1KDM4EPLAURAB9AL3MBTL1
SCHEMBL6028762 0.76 BTK (0.47) KDM4EALDH1A1GAAPARP1CSNK1A1
SCHEMBL995473 0.75 PARP1 (0.54) NPC1BCAT2PARP1RAB9AIKBKB
SCHEMBL31127659 0.75 PARP1 (0.54) NPC1BCAT2PARP1RAB9AIKBKB
SCHEMBL31621280 0.75 SLC6A2 (0.64) NPC1BCAT2ALOX5APFEN1KDM4E
SCHEMBL31621279 0.75 SLC6A2 (0.64) NPC1BCAT2ALOX5APFEN1KDM4E
SCHEMBL2656924 0.74 BCAT2 (0.51) NPC1BCAT2ALOX5APFEN1KDM4E

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
EP-1594841-A1 VEGFR-2 AND VEGFR-3 INHIBITORY ANTHRANYLAMIDOPYRIDINES SCHERING AKTIENGESELLSCHAFT (DE) 2005-11-16 EP disclosed
WO-2004013102-A1 VEGFR-2 AND VEGFR-3 INHIBITORY ANTHRANYLAMIDOPYRIDINES SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-12 WO disclosed