SCHEMBL8599145

SCHEMBL8599145

C=CCN(CC=C)S(=O)(=O)c1cncc(N)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL8601831 0.80 KDM4E (0.34) KDM4E
SCHEMBL8630572 0.77 CA12 (0.31)
SCHEMBL8599625 0.76 CA9 (0.36) KDM4ETSHRKMT2ARAB9A
SCHEMBL8597271 0.76 ALDH1A1 (0.34) TDP1
SCHEMBL8598387 0.75 KDM4E (0.38) KDM4EPOLBTDP1MEN1TSHR
SCHEMBL8596770 0.75 KMT2A (0.39) KDM4EPOLBTDP1MEN1TSHR
SCHEMBL8568327 0.74 MEN1 (0.39) MEN1KMT2A
SCHEMBL3783321 0.73 CA12 (0.43) KDM4EPOLBTDP1MEN1TSHR
SCHEMBL8600533 0.73 TDP1 (0.38) KDM4EPOLBTDP1MEN1TSHR
SCHEMBL8602043 0.73 KDM4E (0.38) KDM4EPOLBTDP1MEN1TSHR

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