SCHEMBL4223686

SCHEMBL4223686

CN(C)CCC(NC(=O)Nc1ccc2ncccc2c1)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.53
HDAC1 Q13547 8/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC4 P56524 2/20 0.46
MEF2D Q14814 2/20 0.46
HDAC3 O15379 8/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC10 Q969S8 2/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
EP300 Q09472 1/20 0.41
HDAC11 Q96DB2 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
SCHEMBL4218016 0.87 UTS2R (0.49) UTS2RHDAC1HDAC2HDAC4MEF2D
SCHEMBL4231224 0.85 HDAC4 (0.47) UTS2RHDAC1HDAC2HDAC4MEF2D
SCHEMBL2382361 0.85 UTS2R (0.49) UTS2RHDAC1HDAC2HDAC3MEN1
SCHEMBL2384677 0.84 HDAC1 (0.49) UTS2RHDAC1HDAC2HDAC3HDAC8
SCHEMBL2385344 0.83 UTS2R (0.64) UTS2RHDAC1HDAC2HDAC3HDAC8
SCHEMBL2385595 0.82 UTS2R (0.46) UTS2RHDAC1HDAC2HDAC4HDAC3
SCHEMBL3230138 0.82 UTS2R (0.47) UTS2RHDAC1HDAC2HDAC3HDAC8
SCHEMBL4224589 0.81 UTS2R (0.48) UTS2RHDAC1HDAC2HDAC4HDAC3
SCHEMBL4227690 0.81 HDAC4 (0.48) UTS2RHDAC1HDAC2HDAC4MEF2D
SCHEMBL4225220 0.81 HDAC1 (0.45) UTS2RHDAC1HDAC2HDAC3HDAC8

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