SCHEMBL8993582

SCHEMBL8993582

O=[N+]([O-])c1ccccc1[C]1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 3/20 0.61
S100A4 P26447 2/20 0.53
PTPRC P08575 1/20 0.53
PTPN1 P18031 1/20 0.49
HSD17B10 Q99714 2/20 0.48
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL30535903 0.84 ALDH1A1 (0.74) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL1287837 0.84 ALDH1A1 (0.74) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL30987815 0.81 ALDH1A1 (0.71) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL29337140 0.81 ALDH1A1 (0.71) ALDH1A1TDP1S100A4PTPRCPTPN1
Ammonia Solution, Strong SCHEMBL9060371 0.81 ALDH1A1 (0.71) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL9761836 0.76 ALDH1A1 (0.76) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL16582329 0.76 ALDH1A1 (0.63) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL44392 0.76 ALDH1A1 (1.00) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL15055546 0.76 TDP1 (0.67) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL30196067 0.76 ALDH1A1 (1.00) ALDH1A1TDP1S100A4PTPRCPTPN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577945-B1 Herbicide intermediate o-nitrophenyl cyclopropyl ketone and a method for the preparation thereof AMERICAN CYANAMID CO (US) 1996-08-14 EP claimed
CN-1040640-C Herbicide intermediate o-nitrophenyl cyclopropylketone and a method for the preparation thereof AMERICAN CYANAMID CO (US) 1998-11-11 CN disclosed
EP-0577945-B1 Herbicide intermediate o-nitrophenyl cyclopropyl ketone and a method for the preparation thereof AMERICAN CYANAMID CO (US) 1996-08-14 EP disclosed
CN-1083045-A Herbicide intermediate o-nitrophenyl cyclopropyl ketone and preparation method thereof AMERICAN CYANAMID CO (US) 1994-03-02 CN disclosed
CN-1083045-A Herbicide intermediate o-nitrophenyl cyclopropyl ketone and preparation method thereof AMERICAN CYANAMID CO (US) 1994-03-02 CN disclosed
EP-0577945-A1 Herbicide intermediate o-nitrophenyl cyclopropyl ketone and a method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1994-01-12 EP disclosed