SCHEMBL8623968

SCHEMBL8623968

C=CCOS(=O)(=O)c1cc([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
ATM Q13315 1/20 0.36
POLB P06746 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
DHFR P00374 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 6/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 2/20 0.33
SETDB1 Q15047 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 5/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8602040 0.82 KMT2A (0.42) MAPTPOLBDHFRRAB9ANPC1
SCHEMBL8566984 0.82 CA1 (0.39) MAPTPOLBRAB9ANPC1KMT2A
SCHEMBL8597034 0.80 KDM4E (0.42) MAPTPOLBRAB9AKMT2AALDH1A1
SCHEMBL8628924 0.80 PIM1 (0.37) MAPTATMPOLBABCG2RAB9A
SCHEMBL8596917 0.80 KMT2A (0.43) MAPTPOLBDHFRRAB9ANPC1
SCHEMBL8625854 0.79 CA2 (0.42) MAPTATMKMT2AALDH1A1SMN1; SMN2
SCHEMBL8567404 0.76 KMT2A (0.45) MAPTPOLBRAB9ANPC1KMT2A
SCHEMBL8564388 0.76 ALDH1A1 (0.48) MAPTPOLBRAB9AKMT2AALDH1A1
SCHEMBL8624593 0.75 MAPT (0.35) MAPTATMPOLBABCG2RAB9A
SCHEMBL8625911 0.75 MAPT (0.35) MAPTATMPOLBRAB9AKMT2A

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