SCHEMBL7087783

SCHEMBL7087783

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)O)cc1.N#Cc1cccc(NC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.44
MAPK14 Q16539 3/20 0.43
TSHR P16473 1/20 0.42
KDR P35968 1/20 0.42
KMT2A Q03164 2/20 0.41
MLNR O43193 1/20 0.41
IDO1 P14902 1/20 0.41
MCHR1 Q99705 1/20 0.41
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NAMPT P43490 1/20 0.38
FPR2 P25090 1/20 0.38
TP53 P04637 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
SCHEMBL7092565 0.99 F10 (0.45) F10MAPK14TSHRKDRKMT2A
SCHEMBL7093219 0.90 USP30 (0.45) F10MAPK14TSHRKDRKMT2A
SCHEMBL7143506 0.89 USP30 (0.44) F10MAPK14TSHRKDRKMT2A
SCHEMBL6988107 0.83 F10 (0.55) F10
SCHEMBL6993192 0.82 F10 (0.44) F10IDO1FPR2
SCHEMBL6990138 0.82 PRSS1 (0.54) F10
SCHEMBL6989579 0.81 PRSS1 (0.44) F10IDO1FPR2
SCHEMBL7078610 0.78 F10 (0.43) F10MAPK14KDRKMT2AMCHR1
SCHEMBL7082152 0.76 F10 (0.44) F10MAPK14KDRKMT2AMCHR1
SCHEMBL7076844 0.76 F10 (0.47) F10MAPK14KDRKMT2AKIT

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-1303482-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-23 EP disclosed
WO-2002008177-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-31 WO disclosed