SCHEMBL8094492

SCHEMBL8094492

Cc1nsc(NC(=O)Cc2ccc(Oc3ccc(N)cc3)cc2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.41
ROCK2 O75116 1/20 0.41
MAPK9 P45984 3/20 0.40
MAPK10 P53779 3/20 0.40
GLS O94925 4/20 0.40
NOD2 Q9HC29 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
EPHX2 P34913 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7998311 0.93 GLS (0.44) MAPK8GLSKDM4EALDH1A1GAA
SCHEMBL8094494 0.90 MAPK8 (0.44) MAPK8GLSALDH1A1
SCHEMBL7994626 0.90 GLS (0.42) MAPK8GLSCA12CA1CA2
SCHEMBL7233873 0.86 MAPK8 (0.54) MAPK8MAPK9MAPK10GLSNOD2
SCHEMBL8069562 0.86 MAPK8 (0.47) MAPK8MAPK9MAPK10GLSKDM4E
SCHEMBL8104093 0.85 KMT2A (0.49) MAPK8HTTALDH1A1GAA
SCHEMBL8094581 0.84 SMN1; SMN2 (0.40) MAPK8ROCK2MAPK9MAPK10CA12
SCHEMBL7232438 0.82 GLS (0.43) MAPK8GLSKDM4EALDH1A1GAA
SCHEMBL7735892 0.80 RAB9A (0.46) MAPK8MAPK10KDM4EALDH1A1GAA
SCHEMBL7230936 0.78 GAA (0.47) MAPK8CA1CA2ALDH1A1GAA

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-0991631-A1 SUBSTITUTED AMINOHETEROCYCLYLAMIDES Bayer Aktiengesellschaft (DE) 2000-04-12 EP disclosed
WO-1999000375-A1 SUBSTITUTED AMINOHETEROCYCLYLAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-07 WO disclosed