SCHEMBL8568481

SCHEMBL8568481

Nc1nccc(Cc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.50
LMNA P02545 5/20 0.48
MGMT P16455 2/20 0.47
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
NOD2 Q9HC29 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 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
SCHEMBL4954517 0.82 CYP19A1 (0.41) HTTLMNAMGMTMAPTSMN1; SMN2
SCHEMBL28238100 0.81 HTT (0.49) HTTLMNAMGMTMAPTSMN1; SMN2
SCHEMBL4954513 0.81 MEN1 (0.46) HTTLMNAMGMTMAPTSMN1; SMN2
SCHEMBL1699180 0.79 LMNA (0.44) HTTLMNAMGMTMAPTSMN1; SMN2
SCHEMBL5145767 0.79 MAPT (0.47) HTTLMNAMGMTMAPTSMN1; SMN2
SCHEMBL8566712 0.79 CYP19A1 (0.43) HTTLMNAMGMTMAPTSMN1; SMN2
SCHEMBL9995175 0.78 HTT (0.42) HTTLMNAMGMTMAPTSMN1; SMN2
SCHEMBL8598075 0.78 HTT (0.42) HTTLMNAMGMTMAPTSMN1; SMN2
SCHEMBL5036374 0.77 MGMT (0.58) HTTLMNAMGMTMAPTCYP19A1
SCHEMBL3476385 0.76 HTR2A (0.41) HTTLMNAMGMTMAPTSMN1; 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