SCHEMBL8568707

SCHEMBL8568707

Nc1cncc(C(=O)Cc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
MGMT P16455 1/20 0.38
ALDH1A1 P00352 2/20 0.37
APEX1 P27695 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
CTSD P07339 1/20 0.36

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
SCHEMBL8565798 0.81 RAB9A (0.55) MAPTMGMTALDH1A1LMNAPOLB
SCHEMBL8565140 0.81 HTT (0.55) HTTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL8566551 0.78 ALDH1A1 (0.46) HTTMAPTALDH1A1LMNAPOLB
SCHEMBL8561530 0.76 HTT (0.52) CES2CES1HTTMAPTALDH1A1
SCHEMBL8562600 0.76 LMNA (0.47) CES2CES1HTTMAPTMGMT
SCHEMBL8568617 0.75 MAPK1 (0.38) CES2CES1HTTMAPTALDH1A1
SCHEMBL30967226 0.75 MAPK1 (0.44) CES2CES1MAPTALDH1A1SMN1; SMN2
SCHEMBL8563757 0.75 ALDH1A1 (0.40) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL8564450 0.74 MAPT (0.41) HTTMAPTMGMTALDH1A1SMN1; SMN2
SCHEMBL8569903 0.73 MAPK1 (0.34) HTTMAPTALDH1A1SMN1; SMN2LMNA

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