SCHEMBL8599781

SCHEMBL8599781

C=CCS(=O)(=O)c1cc([N+](=O)[O-])c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39
RAB9A P51151 4/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
HPRT1 P00492 1/20 0.38
GUSB P08236 1/20 0.37
F2 P00734 1/20 0.37
C1R P00736 1/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL8563233 0.82 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8628924 0.81 PIM1 (0.37) KMT2AMEN1ALDH1A1MAPTPIM1
SCHEMBL8599530 0.81 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8600738 0.81 MEN1 (0.40) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL8562084 0.78 MEN1 (0.44) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL8566957 0.78 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTPIM1
SCHEMBL8600014 0.78 TXNRD1 (0.49) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8602040 0.77 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8600823 0.76 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL8598588 0.74 POLB (0.40) KMT2AMEN1ALDH1A1MAPTLMNA

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