SCHEMBL8599148

SCHEMBL8599148

CCCCCSc1cncc(N)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 3/20 0.41
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN9A Q15858 2/20 0.37
SCN5A Q14524 1/20 0.37
GSTP1 P09211 3/20 0.34
GSTM2 P28161 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6678656 0.77 PTGS2 (0.41) HASPINMEN1HTTKMT2ALMNA
SCHEMBL8599537 0.77 KMT2A (0.36) MEN1HTTKMT2ALMNAMAPT
SCHEMBL8601231 0.75 L3MBTL1 (0.35) HASPINMEN1HTTKMT2ALMNA
SCHEMBL8596428 0.74 GPR84 (0.44) HASPINCYP2C9CYP2C19SCN9ASCN5A
SCHEMBL8595691 0.74 GPR84 (0.44) HASPINCYP2C9CYP2C19SCN9ASCN5A
SCHEMBL8596253 0.73 CYP19A1 (0.40) CYP2C9CYP2C19MEN1KMT2ALMNA
SCHEMBL8597007 0.73 HASPIN (0.44) HASPINCYP2C9CYP2C19GSTP1GSTM2
SCHEMBL8568938 0.72 GSTP1 (0.49) CYP2C9CYP2C19SCN9AGSTP1GSTM2
SCHEMBL8596762 0.72 MAPT (0.44) HTTMAPTL3MBTL1GAAALDH1A1
SCHEMBL8600520 0.71 L3MBTL1 (0.43) HASPINSCN9ASCN5AGSTP1GSTM2

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