SCHEMBL4428564

SCHEMBL4428564

COC(=O)c1[nH]c(C(C)(C)C)cc1N(C(N)=O)c1ccc(C)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.44
RAF1 P04049 2/20 0.43
RAB9A P51151 3/20 0.38
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
DHODH Q02127 1/20 0.32
GUSB P08236 1/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 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
SCHEMBL4423633 0.82 MAPK14 (0.51) MAPK14RAF1RAB9AHPGDMAPT
SCHEMBL4420926 0.80 MAPK14 (0.56) MAPK14RAF1HPGDMAPTLMNA
SCHEMBL3245493 0.70 RAF1 (0.83) MAPK14RAF1RAB9AHPGDSMN1; SMN2
SCHEMBL5596997 0.67 MAPT (0.43) RAB9AHPGDMAPTLMNA
SCHEMBL9191547 0.65 ALDH1A1 (0.46) MAPK14RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL3220088 0.65 MAPK14 (0.55) MAPK14RAF1HPGDMAPTUSP2
SCHEMBL6313081 0.65 LMNA (0.39) MAPK14RAB9ASMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL9261683 0.64 ALDH1A1 (0.45) MAPK14RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL13388156 0.62 EPAS1 (0.39) RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL13315128 0.62 MAPK14 (0.49) MAPK14RAF1RAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4344960-B2 2009-10-14 JP claimed
JP-2001526687-A 2001-12-18 JP claimed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP claimed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP claimed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 WO claimed