SCHEMBL8599321

SCHEMBL8599321

CCCCCNC(=O)c1cc([N+](=O)[O-])c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
POLB P06746 1/20 0.48
APOBEC3A P31941 1/20 0.48
ESR2 Q92731 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NAAA Q02083 1/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
P2RY12 Q9H244 1/20 0.46
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
ADORA2A P29274 1/20 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
SCHEMBL8601373 0.82 ALDH1A1 (0.46) HPGDHTTALDH1A1GAAKDM4E
SCHEMBL8568794 0.82 HPGD (0.54) HPGDHTTALDH1A1GAAGLA
SCHEMBL8597620 0.80 ESR1 (0.51) HPGDALDH1A1GAAKDM4EPOLB
SCHEMBL8598420 0.80 HTT (0.59) HPGDHTTALDH1A1GAAKDM4E
SCHEMBL8596997 0.79 HTT (0.51) HPGDHTTALDH1A1GAAKDM4E
SCHEMBL20460343 0.79 P2RY12 (0.68) HPGDHTTALDH1A1GAAKDM4E
SCHEMBL8600541 0.79 KDM4E (0.51) HPGDHTTALDH1A1GAAKDM4E
SCHEMBL8595814 0.77 KMT2A (0.46) HPGDHTTALDH1A1GAAKDM4E
SCHEMBL8567699 0.76 ALDH1A1 (0.48) HTTALDH1A1POLBL3MBTL1MAPK1
SCHEMBL8568311 0.76 ALOX15 (0.53) HPGDALDH1A1POLBMAPK1SMN1; 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 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