SCHEMBL4229864

SCHEMBL4229864

CCCNC(=O)NC(CCN(C)C)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.46
HDAC3 O15379 7/20 0.46
HDAC8 Q9BY41 6/20 0.46
UTS2R Q9UKP6 11/20 0.46
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC6 Q9UBN7 3/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR1 O75376 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL4231191 0.93 HDAC3 (0.44) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL4225161 0.91 UTS2R (0.45) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL4224174 0.90 UTS2R (0.49) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL4228771 0.90 UTS2R (0.44) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL4229190 0.88 UTS2R (0.43) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL4224589 0.88 UTS2R (0.48) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL4224236 0.88 UTS2R (0.45) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL4233206 0.88 UTS2R (0.45) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL4225192 0.87 UTS2R (0.46) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL4219338 0.87 UTS2R (0.41) HDAC1HDAC3HDAC8UTS2RHDAC2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP disclosed