SCHEMBL8567904

SCHEMBL8567904

Nc1ccnc(S(N)(=O)=O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.39
CA1 P00915 6/20 0.39
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
CA7 P43166 3/20 0.39
CA13 Q8N1Q1 3/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5A P35218 2/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
NPY1R P25929 8/20 0.38
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL2683501 0.85 NSD2 (0.38) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL8601717 0.77 ALDH1A1 (0.36) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL5126783 0.77 PKM (0.42) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL8569457 0.76 TXNRD1 (0.49) CA2CA1CA9CA7CA13
SCHEMBL3688848 0.76 MAPT (0.47) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL8596381 0.75 TXNRD1 (0.49) KMT2AMEN1USP2NPY1RMAPT
SCHEMBL8599491 0.74 HIF1A (0.39) CA2CA1CA12CA9CA14
SCHEMBL8627058 0.74 CA12 (0.35) CA2CA1CA12CA9CA7
SCHEMBL8600533 0.74 TDP1 (0.38) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL18486948 0.74 KMT2A (0.42) KMT2AMEN1USP2KEAP1NFE2L2

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