SCHEMBL8562084

SCHEMBL8562084

O=[N+]([O-])c1cc(S(=O)(=O)O)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 5/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 6/20 0.44
PIM1 P11309 2/20 0.44
PIM3 Q86V86 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
HPRT1 P00492 1/20 0.43
CASP6 P55212 1/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
HPGD P15428 1/20 0.42
GUSB P08236 1/20 0.42
F2 P00734 1/20 0.42
C1R P00736 1/20 0.42

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
SCHEMBL8566957 0.85 MAPT (0.46) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8563233 0.80 ALDH1A1 (0.52) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8599781 0.78 KMT2A (0.42) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8566524 0.78 MEN1 (0.53) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8561585 0.77 PIN1 (0.41) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8561794 0.77 VCAM1 (0.57) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8600014 0.76 TXNRD1 (0.49) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8598728 0.76 ALDH1A1 (0.43) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL3298254 0.76 KMT2A (0.54) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8599530 0.75 MEN1 (0.41) MEN1KMT2AMAPTRAB9AMAPK1

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