SCHEMBL4229190

SCHEMBL4229190

CN(C)CCC(NC(=O)NCCc1ccncc1)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 11/20 0.41
HDAC3 O15379 8/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC2 Q92769 5/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR1 O75376 1/20 0.38

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
SCHEMBL4224174 0.94 UTS2R (0.49) UTS2RHIF1AHDAC1HDAC3HDAC8
SCHEMBL2385692 0.89 HDAC1 (0.45) UTS2RHIF1AHDAC1HDAC3HDAC8
SCHEMBL4229864 0.88 HDAC1 (0.46) UTS2RHDAC1HDAC3HDAC8HDAC2
SCHEMBL4219338 0.87 UTS2R (0.41) UTS2RHDAC1HDAC3HDAC8HDAC2
SCHEMBL4224427 0.87 UTS2R (0.40) UTS2RHIF1ASMN1; SMN2
SCHEMBL4225161 0.86 UTS2R (0.45) UTS2RHDAC1HDAC3HDAC8HDAC2
SCHEMBL4228771 0.86 UTS2R (0.44) UTS2RHDAC1HDAC3HDAC8HDAC2
SCHEMBL1483181 0.85 UTS2R (0.47) UTS2RHIF1A
SCHEMBL4231191 0.85 HDAC3 (0.44) UTS2RHDAC1HDAC3HDAC8HDAC2
SCHEMBL4224589 0.83 UTS2R (0.48) UTS2RHDAC1HDAC3HDAC8HDAC2

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