SCHEMBL4233301

SCHEMBL4233301

CN1CCN(CCCC(NC(=O)Nc2nccs2)c2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.45
HRH1 P35367 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
KCNA5 P22460 9/20 0.37
ADORA2A P29274 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CASR P41180 1/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 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
SCHEMBL4229354 0.96 METAP1 (0.46) METAP1HRH1UBE2MDCUN1D1KCNA5
SCHEMBL4224157 0.94 CASR (0.43) METAP1HRH1UBE2MDCUN1D1KCNA5
SCHEMBL4376286 0.93 METAP1 (0.44) METAP1HRH1UBE2MDCUN1D1KCNA5
SCHEMBL4234586 0.92 CASR (0.43) METAP1HRH1UBE2MDCUN1D1KCNA5
SCHEMBL4229846 0.88 HRH1 (0.40) HRH1UBE2MDCUN1D1KCNA5ALDH1A1
SCHEMBL3231643 0.87 CSF1R (0.38) ABL1SRC
SCHEMBL4227705 0.87 METAP1 (0.47) METAP1ADORA2A
SCHEMBL4233242 0.85 METAP1 (0.49) METAP1ADORA2A
SCHEMBL2477400 0.85 CYP2D6 (0.48) METAP1ADORA2AALDH1A1CASR
SCHEMBL3225124 0.84 LMNA (0.40) ABL1SRC

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