SCHEMBL8595708

SCHEMBL8595708

CCCCCc1cc(N)ncc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
GABRA1 P14867 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRA4 P48169 2/20 0.50
GABRE P78334 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRG1 Q8N1C3 2/20 0.50
GABRG3 Q99928 2/20 0.50
GABRQ Q9UN88 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39

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 0.89 PIM3 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24455815 0.84 NOS3 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8564571 0.79 MAPT (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8597281 0.79 SMN1; SMN2 (0.47) L3MBTL1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL8570918 0.76 ALDH1A1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8600773 0.76 L3MBTL1 (0.55) L3MBTL1MAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL8600520 0.76 L3MBTL1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8598549 0.75 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8598914 0.75 TXNRD1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8598258 0.74 L3MBTL1 (0.47) L3MBTL1MAPTALDH1A1TDP1SMN1; SMN2

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