SCHEMBL8601231

SCHEMBL8601231

CCCCCc1cncc(N)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
TLR8 Q9NR97 1/20 0.33
KCNH2 Q12809 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 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
SCHEMBL8921703 0.79 MAPT (0.38) HTTLMNAPOLBTDP1MAPT
SCHEMBL8596253 0.77 CYP19A1 (0.40) L3MBTL1MEN1LMNAKMT2APOLB
SCHEMBL8564427 0.76 ALDH1A1 (0.38) HTTMEN1LMNAKMT2APOLB
SCHEMBL8599148 0.75 HASPIN (0.41) L3MBTL1HTTMEN1LMNAKMT2A
SCHEMBL8596762 0.75 MAPT (0.44) L3MBTL1HTTPOLBTDP1MAPT
SCHEMBL8600910 0.74 TXNRD1 (0.41) L3MBTL1HTTMEN1LMNAKMT2A
SCHEMBL8566844 0.74 MEN1 (0.40) HTTMEN1LMNAKMT2APOLB
SCHEMBL26113025 0.73 KCNH2 (0.42) HTTMEN1KMT2APOLBKCNH2
SCHEMBL8626079 0.72 CA2 (0.37) MAPTNPC1RAB9ACA2
SCHEMBL8598691 0.72 IMPDH2 (0.32) L3MBTL1MEN1KMT2APOLBTDP1

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