SCHEMBL8568617

SCHEMBL8568617

C=C(c1ccccc1)c1cncc(N)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
BCL6 P41182 1/20 0.35
KMT2A Q03164 1/20 0.35
BCOR Q6W2J9 1/20 0.35
HTT P42858 1/20 0.35
MAPK14 Q16539 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MAPT P10636 6/20 0.34
F2 P00734 2/20 0.34
PLAU P00749 2/20 0.34
ELANE P08246 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL8566551 0.77 ALDH1A1 (0.46) MAPK1POLBMEN1KMT2AHTT
SCHEMBL8568707 0.75 CES2 (0.39) POLBHTTCES2CES1MAPT
SCHEMBL8566992 0.75 ALDH1A1 (0.47) KMT2AHTTCES2MAPTALDH1A1
SCHEMBL8570524 0.74 MAPT (0.42) MAPK1POLBMEN1KMT2AHTT
SCHEMBL8563757 0.73 ALDH1A1 (0.40) POLBMEN1KMT2AHTTMAPT
SCHEMBL8569903 0.72 MAPK1 (0.34) MAPK1POLBMEN1KMT2AHTT
SCHEMBL8565140 0.72 HTT (0.55) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL8565798 0.72 RAB9A (0.55) MAPK1POLBKMT2AMAPTALDH1A1
SCHEMBL8566844 0.72 MEN1 (0.40) POLBMEN1KMT2AHTTMAPT
SCHEMBL30874786 0.72 TDP1 (0.51) MAPK1POLBMEN1KMT2AHTT

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