SCHEMBL5280360

SCHEMBL5280360

CC(C)(C)c1csc(NC(=O)Nc2cccc(Cl)c2Cl)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.60
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ANO1 Q5XXA6 1/20 0.44

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
SCHEMBL667541 0.75 MAPK14 (1.00) MAPK14MEN1KMT2AMAPK1MAPT
SCHEMBL3541451 0.74 MAPK14 (0.65) MAPK14MEN1KMT2AMAPK1MAPT
SCHEMBL10710090 0.73 MEN1 (0.79) MAPK14MEN1KMT2AMAPK1MAPT
SCHEMBL21253163 0.72 GRIN2C (0.63) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL668778 0.69 MAPK14 (1.00) MAPK14MEN1KMT2AMAPK1MAPT
SCHEMBL21259191 0.69 GLRA3 (0.47) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL1514754 0.69 KDM4E (0.75) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL3241483 0.68 MAPK14 (0.72) MAPK14MEN1KMT2AMAPK1
SCHEMBL10530781 0.68 MEN1 (1.00) MAPK14MEN1KMT2AMAPK1MAPT
SCHEMBL13556606 0.68 MEN1 (0.59) MAPK14MEN1KMT2AMAPK1MAPT

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-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed