SCHEMBL6049586

SCHEMBL6049586

CC(C)(C)c1ccc(N(C(N)=O)c2cccc(Cl)c2Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.45
ALOX5 P09917 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
TSHR P16473 1/20 0.30
YEATS4 O95619 1/20 0.30

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
SCHEMBL6049504 0.78 MAPK14 (0.47) MAPK14ALOX5MAPK1KMT2AMEN1
SCHEMBL6924580 0.76 MAPK14 (0.54) MAPK14ALOX5
SCHEMBL6613447 0.69 RXRA (0.35) MAPK14
SCHEMBL9894387 0.69 MAPK14 (0.38) MAPK14
SCHEMBL3631505 0.68 MAPK14 (0.53) MAPK14
SCHEMBL7552627 0.68 TSHR (0.36) MAPK14MAPK1KMT2AMEN1TSHR
SCHEMBL17513254 0.68 TSHR (0.41) KMT2AMEN1POLBTSHR
SCHEMBL13388539 0.68 RORB (0.38) MAPK14KMT2AMEN1
SCHEMBL1305897 0.67 PPARA (0.49) KMT2AMEN1POLBTSHR
SCHEMBL4420926 0.66 MAPK14 (0.56) MAPK14KMT2AMEN1TSHR

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-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed