SCHEMBL8561287

SCHEMBL8561287

COCCOc1c(N)c([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
NCF1 P14598 5/20 0.39
TSHR P16473 1/20 0.39
MPO P05164 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
S1PR4 O95977 1/20 0.36

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
SCHEMBL8597821 0.86 LMNA (0.43) NCF1TSHRSMN1; SMN2MAPTMEN1
SCHEMBL8562740 0.82 MGMT (0.43) POLBNCF1TSHRMPOSMN1; SMN2
SCHEMBL8567582 0.82 MGMT (0.48) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL8559919 0.81 POLB (0.43) POLBNCF1TSHRRAB9ARECQL
SCHEMBL8567843 0.79 POLB (0.43) POLBTSHRMPORAB9ANPC1
SCHEMBL8563177 0.78 TSHR (0.48) POLBNCF1TSHRMPOMAPK1
SCHEMBL8565124 0.75 KDM4E (0.38) POLBTSHRRAB9ANPC1MAPK1
SCHEMBL8564625 0.75 MAPT (0.38) POLBTSHRRAB9AMAPK1SMN1; SMN2
SCHEMBL8566398 0.75 POLB (0.38) POLBNCF1TSHRRAB9ANPC1
SCHEMBL8566394 0.75 POLB (0.38) POLBNCF1TSHRRAB9ANPC1

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