SCHEMBL8596997

SCHEMBL8596997

C=CCNC(=O)c1cc([N+](=O)[O-])c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 2/20 0.42
HCAR3 P49019 1/20 0.42

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
SCHEMBL8568794 0.84 HPGD (0.54) HTTMEN1KMT2AHPGDCYP1A2
SCHEMBL8599321 0.79 HPGD (0.48) HTTMAPTMEN1KMT2AHPGD
SCHEMBL8597709 0.79 ALDH1A1 (0.44) HTTMAPTMEN1KMT2AHPGD
SCHEMBL8601653 0.79 TDP1 (0.48) HTTMAPTMEN1KMT2AHPGD
SCHEMBL8568311 0.78 ALOX15 (0.53) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL8598717 0.78 RAB9A (0.47) HTTMAPTMEN1KMT2AHPGD
SCHEMBL8600334 0.76 ALDH1A1 (0.47) HTTMAPTMEN1KMT2AHPGD
SCHEMBL8559145 0.75 GRM2 (0.52) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8567699 0.75 ALDH1A1 (0.48) HTTMAPTMEN1KMT2AL3MBTL1
SCHEMBL8599626 0.74 HPGD (0.50) HTTMAPTMEN1KMT2AHPGD

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 4 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
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed