SCHEMBL4227705

SCHEMBL4227705

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.47
ADORA2A P29274 1/20 0.39
UTS2R Q9UKP6 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR3C1 P04150 5/20 0.35
LMNA P02545 1/20 0.35
METAP2 P50579 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL4233242 0.95 METAP1 (0.49) METAP1ADORA2AUTS2RL3MBTL1NPC1
SCHEMBL3231734 0.89 UTS2R (0.42) METAP1UTS2RMAPK1
SCHEMBL1482834 0.89 METAP1 (0.45) METAP1ADORA2AUTS2RL3MBTL1NPC1
SCHEMBL3215252 0.89 UTS2R (0.39) METAP1UTS2RL3MBTL1NPC1RAB9A
SCHEMBL3222714 0.87 UTS2R (0.39) METAP1UTS2R
SCHEMBL4229384 0.87 ROCK2 (0.43) UTS2RLMNA
SCHEMBL4233301 0.87 METAP1 (0.45) METAP1ADORA2A
SCHEMBL2384055 0.87 HDAC3 (0.41) METAP1ADORA2AUTS2RL3MBTL1NPC1
SCHEMBL3226314 0.86 UTS2R (0.42) UTS2RL3MBTL1NPC1MEN1KMT2A
SCHEMBL3234631 0.85 NAMPT (0.42) UTS2RNPC1RAB9AMEN1KMT2A

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