SCHEMBL6924580

SCHEMBL6924580

CC(C)(C)c1cc(N(C(N)=O)c2cccc(Cl)c2Cl)c(-c2ccccc2)s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.54
MAPT P10636 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ALOX5 P09917 3/20 0.32
RAF1 P04049 2/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
GRM6 O15303 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13388539 0.76 RORB (0.38) MAPK14MAPTRXRARXRBHPGD
SCHEMBL6049586 0.76 MAPK14 (0.45) MAPK14ALOX5
SCHEMBL6049504 0.74 MAPK14 (0.47) MAPK14ALOX5
SCHEMBL4478253 0.70 MAPK14 (1.00) MAPK14MAPTRAF1MAPK13MAPK12
SCHEMBL13388165 0.68 IDH2 (0.35) MAPK14MAPTHSD17B10NPC1
SCHEMBL6824297 0.67 DAO (0.36) MAPK14MAPTRXRARXRBRXRG
SCHEMBL9894387 0.67 MAPK14 (0.38) MAPK14RAF1MAPK11
SCHEMBL4420926 0.66 MAPK14 (0.56) MAPK14MAPTRAF1HPGDKDM4E
SCHEMBL3631505 0.66 MAPK14 (0.53) MAPK14MAPTRAF1MAPK13MAPK12
SCHEMBL7552627 0.66 TSHR (0.36) MAPK14MAPTHPGDKDM4EHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043995-A4 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2003-05-07 EP disclosed
EP-1043995-A1 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-18 EP disclosed
WO-1999032110-A1 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed