SCHEMBL17801596

SCHEMBL17801596

Cc1nc2c(CCc3ccccc3)cccc2cc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
P2RX7 Q99572 1/20 0.42
NQO2 P16083 1/20 0.40
BRD9 Q9H8M2 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
CYP2C9 P11712 1/20 0.37
PTGER1 P34995 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LCK P06239 1/20 0.37
GLS O94925 2/20 0.37
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL17801463 0.78 LCK (0.43) BRD9HTTLCK
SCHEMBL17816502 0.76 RXFP1 (0.41) BRD9LCK
SCHEMBL17801408 0.73 BRD9 (0.38) BRD9LCK
SCHEMBL7156537 0.71 MGLL (0.52) TLR7CA12CA1CA7CA14
SCHEMBL21783383 0.70 ALDH1A1 (0.44) BRD4P2RX7BRD9
SCHEMBL30046630 0.70 ALDH1A1 (0.44) BRD4P2RX7BRD9
SCHEMBL4304475 0.70 RAB9A (0.53) BRD4CTSSCTSKHTTCA12
SCHEMBL5552326 0.70 NR1H2 (0.42) BRD4NQO2BRD9CTSSCTSK
SCHEMBL7042995 0.70 DRD2 (0.59) CTSSCTSKCA12CA1CA7
Hydrochloric Acid SCHEMBL17801403 0.69 ATP4A (0.49) MAOB

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