SCHEMBL8629459

SCHEMBL8629459

CCCCCOS(=O)(=O)c1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.37
CA1 P00915 10/20 0.36
CA2 P00918 10/20 0.36
CA9 Q16790 9/20 0.36
CA12 O43570 4/20 0.36
CA7 P43166 4/20 0.36
CA14 Q9ULX7 3/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
RECQL P46063 2/20 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
SCHEMBL8628083 0.82 CYP19A1 (0.37) CYP19A1MAPTCA1CA2CA9
SCHEMBL8600998 0.82 TXNRD1 (0.43) CYP19A1MEN1LMNAHTTKMT2A
SCHEMBL8626136 0.81 CYP19A1 (0.38) CYP19A1MAPTCA1CA2CA9
SCHEMBL8599059 0.80 CYP19A1 (0.43) CYP19A1MEN1LMNAHTTKMT2A
SCHEMBL8598219 0.79 RECQL (0.43) MEN1LMNAHTTKMT2ACA1
SCHEMBL11630762 0.78 MAPT (0.38) MEN1LMNAHTTKMT2AMAPT
SCHEMBL8625607 0.77 CA12 (0.35) MEN1LMNAHTTKMT2AMAPT
SCHEMBL8626079 0.76 CA2 (0.37) CYP19A1MAPTCA1CA2CA9
SCHEMBL8567103 0.76 MGMT (0.50) CYP19A1MEN1LMNAHTTKMT2A
SCHEMBL8625161 0.74 CYP19A1 (0.39) CYP19A1MEN1HTTKMT2AMAPT

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