SCHEMBL29662014

SCHEMBL29662014

O=C=Nc1cccc(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
REV1 Q9UBZ9 1/20 0.40
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
BCHE P06276 1/20 0.39
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TRPA1 O75762 1/20 0.34
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL1595410 1.00 CYP3A4 (0.54) CYP3A4REV1CES2CES1BCHE
SCHEMBL28210896 0.89 CYP3A4 (0.60) CYP3A4GABRA1GABRB2TRPA1HPGD
SCHEMBL29536872 0.82 CYP3A4 (0.52) CYP3A4CES2CES1GABRA1GABRB2
SCHEMBL93162 0.82 CYP3A4 (0.52) CYP3A4CES2CES1GABRA1GABRB2
SCHEMBL9630070 0.81 CYP3A4 (0.52) CYP3A4CES2CES1GABRA1GABRB2
SCHEMBL30625397 0.81 CYP3A4 (0.52) CYP3A4CES2CES1GABRA1GABRB2
SCHEMBL162877 0.80 CYP3A4 (0.40) CYP3A4CES2CES1TRPA1HPGD
SCHEMBL30438482 0.80 CYP3A4 (0.40) CYP3A4CES2CES1TRPA1HPGD
SCHEMBL2474646 0.79 CYP3A4 (0.50) CYP3A4CES2CES1GABRA1GABRB2
SCHEMBL334504 0.79 CYP3A4 (0.50) CYP3A4CES2CES1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912405-A Fluothidiazuron derivative and preparation method thereof 河南省科学院高新技术研究中心 2025-05-02 CN claimed
CN-119912405-A Fluothidiazuron derivative and preparation method thereof 河南省科学院高新技术研究中心 2025-05-02 CN disclosed
CN-119908364-A Cotton defoliant containing fluhiuron derivative and application thereof 河南省科学院高新技术研究中心 2025-05-02 CN disclosed
CN-117024357-A Selective inhibitor for BRCA mutation and application thereof 潍坊医学院 2023-11-10 CN disclosed
CN-108137512-B Cyclic N-amide compounds useful as herbicides FMC公司 2022-05-31 CN disclosed