SCHEMBL8596152

SCHEMBL8596152

CCCCCNS(=O)(=O)c1ccnc([N+](=O)[O-])c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
TSHR P16473 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8598219 0.83 RECQL (0.43) RECQLCA12CA9TSHRMEN1
SCHEMBL8599314 0.82 RECQL (0.51) RECQLCA12CA9TSHRMEN1
SCHEMBL8596657 0.81 TXNRD1 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL8628083 0.79 CYP19A1 (0.37) RECQLCA12CA9TSHRSMN1; SMN2
SCHEMBL8601240 0.78 RECQL (0.40) RECQLCA12CA9TSHRMEN1
SCHEMBL8600670 0.78 TSHR (0.34) CA12CA9TSHRMEN1KMT2A
SCHEMBL8598700 0.77 HCAR3 (0.44) TP53TDP1POLBHTTSMN1; SMN2
SCHEMBL8563864 0.77 NSD2 (0.49) CA12CA9CYP1A2CYP3A4POLB
SCHEMBL8597463 0.76 HTT (0.39) RECQLCA12CA9TSHRMEN1
SCHEMBL8598258 0.75 L3MBTL1 (0.47) RECQLCA12CA9TSHRMEN1

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 3 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-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed