SCHEMBL8533282

SCHEMBL8533282

C=CCOc1cc(F)c([N+](=O)[O-])cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
HTR2B P41595 4/20 0.40
ADRB2 P07550 2/20 0.40
HTR1A P08908 2/20 0.40
CHRM5 P08912 2/20 0.40
ADRA2A P08913 2/20 0.40
DRD2 P14416 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
DRD4 P21917 2/20 0.40
HRH2 P25021 2/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR7 P34969 2/20 0.40
DRD3 P35462 2/20 0.40
HTR6 P50406 2/20 0.40
KCNH2 Q12809 2/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL15535434 0.82 KDM4E (0.40) HTR2CHTR2BADRB2HTR1ACHRM5
SCHEMBL29164221 0.81 MAPT (0.40) HTR2CHTR2BADRB2HTR1ACHRM5
SCHEMBL28338065 0.80 CYP3A4 (0.40) TDP1ALDH1A1RAB9AKMT2ANPC1
SCHEMBL3248506 0.79 MAPT (0.44) ATMTDP1ALDH1A1HIF1AHSPB1
SCHEMBL2653971 0.77 ATM (0.49) ADRA2AADRA2BADRA2CATMTDP1
SCHEMBL6445803 0.77 L3MBTL1 (0.49) HTR2CHTR2AATMTDP1ALDH1A1
SCHEMBL1978052 0.77 S1PR4 (0.52) HTR1ATDP1ALDH1A1HIF1AHSPB1
SCHEMBL3884042 0.77 ALDH1A1 (0.49) HTR2CHTR2AATMTDP1ALDH1A1
SCHEMBL1680978 0.77 HTR2C (0.39) HTR2CHTR2BADRB2HTR1ACHRM5
SCHEMBL10718874 0.76 ATM (0.40) ATMTDP1ALDH1A1HIF1AHSPB1

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
US-5786301-A HERBICIDES ZENECA LIMITED (GB) 1998-07-28 US disclosed
EP-0696278-B1 HERBICIDAL SUBSTITUTED 1-PHENYL OR 1-PYRIDINYL-BENZOTRIAZOLES ZENECA LTD (GB) 1998-07-22 EP disclosed
CN-1124959-A Herbicidal substituted 1-phenyl or 1-pyridyl benzotriazoles ZENECA LTD (GB) 1996-06-19 CN disclosed
EP-0696278-A1 HERBICIDAL SUBSTITUTED 1-PHENYL OR 1-PYRIDINYL-BENZOTRIAZOLES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
US-5369086-A Herbicides ZENECA LIMITED (GB) 1994-11-29 US disclosed
WO-1994025446-A1 HERBICIDAL SUBSTITUTED 1-PHENYL OR 1-PYRIDINYL-BENZOTRIAZOLES ZENECA LIMITED (GB) 1994-11-10 WO disclosed