SCHEMBL4234564

SCHEMBL4234564

CCN(CC)CCC(NC(=O)Nc1ccc(F)c(F)c1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.40
P2RX3 P56373 1/20 0.38
HDAC1 Q13547 4/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR3 Q99500 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC2 Q92769 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPK1 P28482 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL3223205 0.96 TMEM97 (0.39) UTS2RP2RX3HDAC1S1PR3HDAC3
SCHEMBL4234963 0.91 KIT (0.40) UTS2RHDAC1RAB9AHDAC3HDAC2
SCHEMBL3230263 0.91 MCHR1 (0.41) UTS2RP2RX3NPC1RAB9ASMN1; SMN2
SCHEMBL3234270 0.90 TMEM97 (0.38) UTS2RP2RX3HDAC1S1PR3HDAC3
SCHEMBL4228901 0.88 HDAC1 (0.47) UTS2RHDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL3234623 0.87 TMEM97 (0.39) UTS2RHDAC1HDAC3HDAC2NCOR2
SCHEMBL4229101 0.87 ALDH1A1 (0.39) UTS2RHDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL3219213 0.87 SMN1; SMN2 (0.38) UTS2RP2RX3HDAC1SMN1; SMN2S1PR3
SCHEMBL3232026 0.87 TMEM97 (0.39) UTS2RHDAC1HDAC3HDAC2NCOR2
SCHEMBL3227819 0.87 TMEM97 (0.41) HDAC1HDAC3HDAC2NCOR2TMEM97

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