SCHEMBL8567165

SCHEMBL8567165

Nc1cc(C(=O)Cc2ccccc2)c([N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 2/20 0.38
APEX1 P27695 1/20 0.38
CTSD P07339 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL8565663 0.81 HPGD (0.58) SMN1; SMN2CYP1A2CYP3A4HPGDCYP2C19
SCHEMBL8560325 0.81 RAB9A (0.51) PIN1PKML3MBTL1ALDH1A1HTT
SCHEMBL8566789 0.78 GABRP (0.50) L3MBTL1ALDH1A1CYP3A4HTT
SCHEMBL8559950 0.76 ALDH1A1 (0.39) PIN1PKML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8561170 0.76 MAPK1 (0.43) PIN1ALDH1A1EGFRMAPK1CES2
SCHEMBL8564329 0.75 ALDH1A1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2EGFRCYP3A4
SCHEMBL8568330 0.75 PIN1 (0.44) PIN1EGFRCYP3A4
SCHEMBL8561530 0.75 HTT (0.52) ALDH1A1SMN1; SMN2CTSDHTTCES2
SCHEMBL8561878 0.74 GABRP (0.41) PKML3MBTL1ALDH1A1EGFRCYP1A2
SCHEMBL8598549 0.74 GABRP (0.43) L3MBTL1ALDH1A1CYP1A2CYP3A4HTT

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