SCHEMBL8600588

SCHEMBL8600588

C=CCN(CC=C)S(=O)(=O)c1ccnc([N+](=O)[O-])c1N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 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
SCHEMBL8598387 0.82 KDM4E (0.38) KDM4EPOLBTDP1MEN1TSHR
SCHEMBL8597341 0.82 MAPT (0.43) KDM4EPOLBTDP1MEN1TSHR
SCHEMBL8602563 0.80 ALDH1A1 (0.42) KDM4EMEN1HTTKMT2AMAPT
SCHEMBL8628187 0.78 CA12 (0.35)
SCHEMBL8600670 0.77 TSHR (0.34) KDM4EMEN1TSHRHTTKMT2A
SCHEMBL8602041 0.77 KDM4E (0.38) KDM4EPOLBTDP1MEN1TSHR
SCHEMBL8600583 0.76 ALDH1A1 (0.36) KDM4EHTTMAPT
SCHEMBL8600533 0.74 TDP1 (0.38) KDM4EPOLBTDP1MEN1TSHR
SCHEMBL8565961 0.74 CA2 (0.39) HTTMAPT
SCHEMBL8561302 0.73 NT5E (0.41) KDM4EPOLBTSHR

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