SCHEMBL7465333

SCHEMBL7465333

O=Cc1c([N+](=O)[O-])ccc2c1C(=O)c1c-2cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.56
PTPRC P08575 1/20 0.51
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.46
MCL1 Q07820 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
CA1 P00915 4/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
CASP6 P55212 1/20 0.44
CA7 P43166 1/20 0.44
AURKA O14965 1/20 0.44
LCK P06239 2/20 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
SCHEMBL7469082 0.86 MAPT (0.53) S100A4PTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL9257330 0.83 S100A4 (0.77) S100A4PTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL11210972 0.79 S100A4 (0.75) S100A4PTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL1303600 0.78 S100A4 (0.81) S100A4PTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL11317413 0.77 S100A4 (0.78) S100A4PTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL2347136 0.76 S100A4 (0.84) S100A4PTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL272154 0.76 ERN1 (0.57) S100A4MAPTKMT2ATSHRSMN1; SMN2
SCHEMBL7465328 0.76 S100A4 (0.56) S100A4PTPRCCSNK2A2CSNK2BCSNK2A1
Anthraquinone SCHEMBL27518707 0.75 S100A4 (0.79) S100A4PTPRCCSNK2A2CSNK2BCSNK2A1
SCHEMBL161290 0.75 S100A4 (0.73) S100A4PTPRCCSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed