SCHEMBL4233242

SCHEMBL4233242

CN(C)CCC(NC(=O)Nc1nccs1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.49
UTS2R Q9UKP6 9/20 0.43
ADORA2A P29274 1/20 0.40
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NR3C1 P04150 2/20 0.36
LMNA P02545 1/20 0.36
METAP2 P50579 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4227705 0.95 METAP1 (0.47) METAP1UTS2RADORA2ANPC1RAB9A
SCHEMBL1482834 0.94 METAP1 (0.45) METAP1UTS2RADORA2AROCK2ROCK1
SCHEMBL3225647 0.87 UTS2R (0.43) UTS2RROCK2ROCK1
SCHEMBL4229354 0.86 METAP1 (0.46) METAP1ADORA2A
SCHEMBL2385731 0.86 UTS2R (0.46) METAP1UTS2RROCK2ROCK1NPC1
SCHEMBL3232007 0.86 UTS2R (0.45) UTS2RROCK2ROCK1
SCHEMBL4233301 0.85 METAP1 (0.45) METAP1ADORA2A
SCHEMBL3225632 0.85 NAMPT (0.44) UTS2RROCK2ROCK1NPC1RAB9A
SCHEMBL3231734 0.85 UTS2R (0.42) METAP1UTS2RROCK2ROCK1
SCHEMBL4225438 0.84 MEN1 (0.40) UTS2RADORA2ANPC1RAB9AMEN1

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-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP disclosed
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP disclosed