SCHEMBL8600670

SCHEMBL8600670

C=CCNS(=O)(=O)c1ccnc([N+](=O)[O-])c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8601525 0.82 KMT2A (0.36) TSHRMAPK1HIF1ASMN1; SMN2CA12
SCHEMBL8597357 0.82 ALDH1A1 (0.39) TSHRMAPK1HIF1ACA12ALDH1A1
SCHEMBL8602563 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL8563864 0.79 NSD2 (0.49) SMN1; SMN2CA12CA9KDM4ECYP1A2
SCHEMBL8628187 0.78 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL8596152 0.78 RECQL (0.43) TSHRMAPK1SMN1; SMN2CA12CA1
SCHEMBL8598890 0.77 TSHR (0.34) TSHRMAPK1HIF1ASMN1; SMN2CA12
SCHEMBL8600588 0.77 KDM4E (0.38) TSHRMEN1KMT2AKDM4EMAPT
SCHEMBL8596102 0.76 HCAR3 (0.42) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL8599491 0.74 HIF1A (0.39) TSHRMAPK1HIF1ASMN1; SMN2CA12

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