SCHEMBL8564571

SCHEMBL8564571

COCCc1cc(N)ncc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.40
EGFR P00533 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 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
SCHEMBL8566589 0.83 PIM3 (0.44) MAPTALDH1A1LMNAEGFRNOS3
SCHEMBL24455815 0.81 NOS3 (0.50) MAPTALDH1A1LMNAEGFRNOS3
SCHEMBL8560385 0.79 ALDH1A1 (0.43) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL8595708 0.79 GABRP (0.50) MAPTALDH1A1LMNAEGFRNOS3
SCHEMBL8570918 0.76 ALDH1A1 (0.44) MAPTALDH1A1LMNAEGFRNOS3
SCHEMBL19402241 0.76 MAPT (0.67) MAPTALDH1A1LMNARAB9ATDP1
SCHEMBL8564259 0.73 ALDH1A1 (0.37) MAPTALDH1A1LMNAPTGESHTT
SCHEMBL28046347 0.73 HTT (0.42) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL29179660 0.73 HTT (0.45) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL8596779 0.73 EGFR (0.38) MAPTALDH1A1LMNAEGFRNOS3

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