SCHEMBL8559983

SCHEMBL8559983

C=C(c1ccccc1)c1cc([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 4/20 0.42
AGTR1 P30556 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
GAA P10253 3/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
ELANE P08246 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
GLA P06280 3/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37

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 0.82 ALDH1A1 (0.59) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8564716 0.79 MAPT (0.47) MAPTALDH1A1AGTR1KMT2AMEN1
SCHEMBL8563079 0.79 NCOA1 (0.54) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8566513 0.75 CASP6 (0.44) MAPTALDH1A1ABCG2KMT2AMEN1
SCHEMBL8564524 0.75 MAPT (0.43) MAPTALDH1A1AGTR1KMT2AMEN1
SCHEMBL8569274 0.74 MEN1 (0.43) MAPTALDH1A1ABCG2KMT2AMEN1
SCHEMBL27444565 0.74 MAPT (0.51) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL3298254 0.73 KMT2A (0.54) MAPTALDH1A1ABCG2KMT2AMEN1
SCHEMBL8568306 0.73 TACR3 (0.63) MAPTKMT2AMEN1SMN1; SMN2KDM4E
Quinoline SCHEMBL27446167 0.73 ALDH1A1 (0.50) MAPTALDH1A1KMT2AMEN1SMN1; 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