SCHEMBL4536241

SCHEMBL4536241

CCC(c1ccccc1)(c1ccccc1)N(CC(C)C(=O)O)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ROCK2 O75116 4/20 0.48
ROCK1 Q13464 4/20 0.48
MEN1 O00255 1/20 0.47
STAT3 P40763 1/20 0.47
KMT2A Q03164 1/20 0.47
ELOVL1 Q9BW60 1/20 0.46
PARP1 P09874 1/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL4217249 0.85 MAPT (0.52) MAPTROCK2ROCK1ELOVL1PARP1
SCHEMBL2437673 0.77 CASR (0.63) MAPTROCK2ROCK1MEN1STAT3
SCHEMBL4206760 0.76 MAPT (0.47) MAPTROCK2ROCK1PARP1NPC1
SCHEMBL4212296 0.75 MAPT (0.44) MAPTROCK2ROCK1PARP1NPC1
SCHEMBL4218293 0.75 MAPT (0.46) MAPTROCK2ROCK1PARP1NPC1
SCHEMBL4534260 0.75 RORC (0.44) MAPTROCK2ROCK1MEN1KMT2A
SCHEMBL4210858 0.72 CASR (0.42) MAPTROCK2ROCK1PARP1NPC1
SCHEMBL4220282 0.72 LMNA (0.45) MAPTMEN1KMT2AELOVL1PARP1
SCHEMBL4213903 0.72 RAB9A (0.41) MAPTROCK2ROCK1KMT2APARP1
SCHEMBL4746922 0.71 CASR (0.56) MAPTMEN1KMT2ARAB9A

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-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 WO disclosed