SCHEMBL13569366

SCHEMBL13569366

C=C(Nc1ccc(F)cc1)N(CCCN1CCOCC1)Cc1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
HDAC1 Q13547 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC2 Q92769 2/20 0.44
NAMPT P43490 4/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.42
PRKAA2 P54646 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL13569939 0.93 MAPT (0.46) USP2HDAC1HDAC3HDAC2NAMPT
SCHEMBL4220744 0.92 USP2 (0.53) USP2HDAC1HDAC3HDAC2NAMPT
SCHEMBL13585752 0.92 USP2 (0.47) USP2HDAC1NAMPTALDH1A1KMT2A
SCHEMBL13569966 0.91 USP2 (0.46) USP2HDAC1HDAC3HDAC2NAMPT
SCHEMBL13569951 0.91 USP2 (0.46) USP2HDAC1HDAC3HDAC2NAMPT
SCHEMBL13569965 0.91 LMNA (0.48) USP2HDAC1HDAC3HDAC2ALDH1A1
SCHEMBL13569888 0.91 LMNA (0.44) USP2HDAC1HDAC3HDAC2ALDH1A1
SCHEMBL13585902 0.91 KMT2A (0.52) USP2HDAC1HDAC3HDAC2NAMPT
SCHEMBL13569368 0.91 USP2 (0.43) USP2HDAC1HDAC3HDAC2NAMPT
SCHEMBL13569733 0.90 LMNA (0.48) USP2HDAC1HDAC3HDAC2NAMPT

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