SCHEMBL8561878

SCHEMBL8561878

CC(=O)c1cc(N)ncc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 3/20 0.38

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
SCHEMBL8564329 0.85 ALDH1A1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8566789 0.85 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28406699 0.83 SIRT6 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2185789 0.80 CA12 (0.43) MAPTL3MBTL1POLBLMNACA12
SCHEMBL30287096 0.80 CA12 (0.43) MAPTL3MBTL1POLBLMNACA12
SCHEMBL8598549 0.77 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8564866 0.76 EGFR (0.41) MAPTL3MBTL1POLBLMNAALDH1A1
SCHEMBL474593 0.75 NOS3 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8564092 0.75 MAPK1 (0.47) MAPTL3MBTL1ALDH1A1TDP1CA12
SCHEMBL29492839 0.75 NOS3 (0.52) GABRPGABRDGABRA1GABRB1GABRG2

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