SCHEMBL8568031

SCHEMBL8568031

Nc1c[n+]([O-])ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
LMNA P02545 3/20 0.38
PKM P14618 1/20 0.38
PDE7A Q13946 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RECQL P46063 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL7481279 0.84 TDP1 (0.47) TDP1TSHRALDH1A1MAPTMEN1
SCHEMBL15804255 0.81 CYP3A4 (0.39) TDP1TSHRALDH1A1MAPTMEN1
SCHEMBL30563095 0.76 HSD17B10 (0.50) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL1815079 0.76 TDP1 (0.47) TDP1TSHRALDH1A1MAPTMEN1
SCHEMBL3059949 0.76 TSHR (0.47) TDP1TSHRPDE7AMAPK1HSD17B10
SCHEMBL741363 0.76 ALDH1A1 (0.36) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10547254 0.76 GPR35 (0.46) TDP1TSHRALDH1A1MAPTMEN1
SCHEMBL172188 0.76 HSD17B10 (0.50) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL20924322 0.74 ALDH1A1 (0.44) TDP1TSHRALDH1A1MAPTMEN1
SCHEMBL3341806 0.73 ALDH1A1 (0.40) TDP1TSHRALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014140592-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LIMITED (GB) 2014-09-18 WO disclosed
CN-1089757-C Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 2002-08-28 CN disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed
EP-0095278-B1 5-OXO-2-PYRROLIDINEPROPANOIC ACID DERIVATIVES AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-11-30 EP disclosed
US-4617310-A 5-oxo-2-pyrrolidinepropanoic acid derivatives and use as cognition activators WARNER-LAMBERT COMPANY (US) 1986-10-14 US disclosed
US-4559358-A TREATING SENILITY WARNER-LAMBERT COMPANY (US) 1985-12-17 US disclosed
EP-0095278-A2 5-Oxo-2-pyrrolidinepropanoic acid derivatives and their production WARNER-LAMBERT COMPANY (US) 1983-11-30 EP disclosed