SCHEMBL8601653

SCHEMBL8601653

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 3/20 0.46
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TACR3 P29371 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL8568306 0.84 TACR3 (0.63) HPGDKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL8598420 0.79 HTT (0.59) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL8596997 0.79 HTT (0.51) TDP1ALDH1A1HPGDKDM4EGAA
SCHEMBL8597864 0.79 ALDH1A1 (0.44) TDP1ALDH1A1HPGDKDM4EGAA
SCHEMBL8563618 0.78 ALDH1A1 (0.59) TDP1ALDH1A1HPGDKDM4EGAA
SCHEMBL27444565 0.78 MAPT (0.51) TDP1ALDH1A1HPGDKDM4EGAA
SCHEMBL3207252 0.78 RAB9A (0.47) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL8563079 0.75 NCOA1 (0.54) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL8564716 0.75 MAPT (0.47) TDP1ALDH1A1HPGDKDM4EGAA
SCHEMBL27504823 0.75 KMT2A (0.40) TDP1ALDH1A1KDM4EGAACYP1A2

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