SCHEMBL6049504

SCHEMBL6049504

CC(C)(C)c1cc(N(C(N)=O)c2cccc(Cl)c2Cl)cs1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.47
ALOX5 P09917 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL6049586 0.78 MAPK14 (0.45) MAPK14ALOX5MEN1MAPK1KMT2A
SCHEMBL6924580 0.74 MAPK14 (0.54) MAPK14ALOX5
SCHEMBL6812678 0.73 MRGPRX4 (0.42) MEN1KMT2A
SCHEMBL6817457 0.70 AKR1B1 (0.40) MEN1MAPK1KMT2ACYP1A2CYP3A4
SCHEMBL1305897 0.70 PPARA (0.49) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL9894387 0.70 MAPK14 (0.38) MAPK14
SCHEMBL13388165 0.69 IDH2 (0.35) MAPK14MEN1KMT2A
SCHEMBL6049549 0.68 PARP10 (0.39) MAPK14MEN1KMT2A
SCHEMBL13388539 0.68 RORB (0.38) MAPK14MEN1KMT2ACYP2C19
SCHEMBL4420926 0.67 MAPK14 (0.56) MAPK14MEN1KMT2ACYP1A2CYP3A4

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