SCHEMBL8563079

SCHEMBL8563079

NC(=O)c1cc([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
MAPT P10636 6/20 0.47
ALDH1A1 P00352 3/20 0.47
RXFP1 Q9HBX9 1/20 0.45
IKBKB O14920 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
PDE10A Q9Y233 1/20 0.42
PLA2G10 O15496 1/20 0.41
RECQL P46063 1/20 0.41
DHODH Q02127 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM2 Q14416 1/20 0.40

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
SCHEMBL8563618 0.88 ALDH1A1 (0.59) MAPTALDH1A1RXFP1KDM4ENPC1
SCHEMBL8564716 0.85 MAPT (0.47) MAPTALDH1A1KDM4EHTTNPC1
SCHEMBL8564524 0.80 MAPT (0.43) MAPTALDH1A1RXFP1KDM4EHTT
SCHEMBL8559983 0.79 MAPT (0.42) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL27444565 0.79 MAPT (0.51) MAPTALDH1A1KDM4EHTTNPC1
SCHEMBL8568306 0.78 TACR3 (0.63) MAPTKDM4EHTTSMN1; SMN2HPGD
Quinoline SCHEMBL27446167 0.78 ALDH1A1 (0.50) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL3956436 0.78 NCF1 (0.51) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL8566513 0.78 CASP6 (0.44) MAPTALDH1A1RXFP1KDM4EHTT
SCHEMBL8567516 0.77 AGTR1 (0.48) MAPTALDH1A1KDM4ELMNADHODH

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