SCHEMBL8599314

SCHEMBL8599314

CCCCCNS(=O)(=O)c1cccnc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.46
F13A1 P00488 2/20 0.41
TGM1 P22735 2/20 0.41
POLB P06746 2/20 0.41
HTT P42858 4/20 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
SCHEMBL8596152 0.82 RECQL (0.43) RECQLCA12CA9ALDH1A1KDM4E
SCHEMBL8598745 0.80 TXNRD1 (0.45) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL8595936 0.80 PAX8 (0.50) RECQLCA12CA9ALDH1A1KDM4E
SCHEMBL3261681 0.79 RECQL (0.63) RECQLCA12CA9ALDH1A1KDM4E
SCHEMBL4067677 0.79 KMT2A (0.60) RECQLCA12CA9ALDH1A1MEN1
SCHEMBL8625161 0.78 CYP19A1 (0.39) RECQLALDH1A1HPGDMEN1KMT2A
SCHEMBL8601240 0.78 RECQL (0.40) RECQLCA12CA9ALDH1A1KDM4E
SCHEMBL14572312 0.77 RECQL (0.62) RECQLCA12CA9ALDH1A1MEN1
SCHEMBL14572299 0.77 RECQL (0.62) RECQLCA12CA9ALDH1A1MEN1
SCHEMBL25682870 0.77 RECQL (0.62) RECQLCA12CA9ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5741577-A Magnetic recording medium having a lubricant layer with a specified structure of a specified perfluoropolyether lubricant KAO CORPORATION (JP) 1998-04-21 US 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