SCHEMBL17801463

SCHEMBL17801463

Cc1nc2c(Br)cccc2cc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.43
BRD9 Q9H8M2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL17801474 0.83 MAPT (0.39) MEN1NPC1RAB9AKMT2A
SCHEMBL17816502 0.82 RXFP1 (0.41) LCKBRD9RXFP1
SCHEMBL17801408 0.79 BRD9 (0.38) LCKBRD9RXFP1
SCHEMBL17801596 0.78 BRD4 (0.42) LCKBRD9HTT
SCHEMBL23384409 0.76 LCK (0.43) LCKBRD9NPC1RAB9A
SCHEMBL29365161 0.76 LCK (0.43) LCKBRD9NPC1RAB9A
SCHEMBL30341113 0.76 MEN1 (0.46) LCKBRD9MEN1NPC1HTT
SCHEMBL30046033 0.74 LCK (0.43) LCKBRD9RXFP1
SCHEMBL21783402 0.74 LCK (0.43) LCKBRD9RXFP1
SCHEMBL31487670 0.73 RAB9A (0.45) LCKBRD9MEN1NPC1HTT

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
WO-2016087593-A1 NOVEL FUNGICIDAL QUINOLINYLAMIDINES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 WO disclosed
WO-2016087593-A1 NOVEL FUNGICIDAL QUINOLINYLAMIDINES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 WO disclosed