SCHEMBL3829358

SCHEMBL3829358

CN(C)CCCC(NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.58
HDAC3 O15379 2/20 0.46
UTS2R Q9UKP6 7/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
HDAC2 Q92769 1/20 0.43

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
SCHEMBL3832758 0.89 UTS2R (0.49) HDAC1HDAC3UTS2RHDAC2
SCHEMBL2478630 0.89 HDAC1 (0.56) HDAC1HDAC3UTS2RHDAC2
SCHEMBL2473252 0.88 HDAC1 (0.47) HDAC1UTS2RHTT
SCHEMBL2474421 0.87 HDAC1 (0.48) HDAC1HDAC3UTS2RHDAC2
SCHEMBL2474768 0.86 UTS2R (0.44) HDAC1UTS2RPOLBHTTABCG2
SCHEMBL2474144 0.85 HDAC1 (0.49) HDAC1HDAC3UTS2RHDAC2
SCHEMBL2476443 0.85 HDAC1 (0.56) HDAC1HDAC3ABCG2HDAC2
SCHEMBL2476829 0.84 UTS2R (0.49) HDAC1HDAC3UTS2RHDAC2
SCHEMBL2471256 0.84 UTS2R (0.58) HDAC1HDAC3UTS2RHDAC2
SCHEMBL3831092 0.83 UTS2R (0.48) HDAC1HDAC3UTS2RHDAC2

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-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP disclosed