SCHEMBL7473401

SCHEMBL7473401

O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)[CH]CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
GPR35 Q9HC97 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
MAPK1 P28482 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
HIF1A Q16665 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL376449 0.73 ALDH1A1 (0.46) ALDH1A1GPR35TDP1MAPK1KMT2A
SCHEMBL5449817 0.69 ALDH1A1 (0.47) ALDH1A1GPR35TDP1MAPK1KMT2A
SCHEMBL29962492 0.69 ALDH1A1 (0.47) ALDH1A1GPR35TDP1MAPK1KMT2A
SCHEMBL7466989 0.69 PNMT (0.47) ALDH1A1TDP1KMT2AHIF1AMEN1
SCHEMBL2594851 0.69 GPR35 (0.44) ALDH1A1GPR35TDP1MAPK1KMT2A
SCHEMBL30503600 0.69 GPR35 (0.44) ALDH1A1GPR35TDP1MAPK1KMT2A
SCHEMBL1716137 0.68 ALDH1A1 (0.43) ALDH1A1GPR35TDP1MAPK1KMT2A
SCHEMBL2822069 0.67 ALDH1A1 (0.58) ALDH1A1GPR35TDP1MAPK1KMT2A
SCHEMBL3899701 0.67 CTSL (0.49) ALDH1A1GPR35TDP1MAPK1KMT2A
SCHEMBL7473407 0.67 ALDH1A1 (0.41) ALDH1A1GPR35TDP1MAPK1KMT2A

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 6 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
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