SCHEMBL23370323

SCHEMBL23370323

CC(F)(F)CCCn1ccc2cccc(Oc3ncc(Cl)cn3)c21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RXRA P19793 6/20 0.34
▸ GRIN1 Q05586 6/20 0.34
▸ GRIN2B Q13224 6/20 0.34
▸ HPGD P15428 1/20 0.31

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
SCHEMBL24854490 0.91 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL23370321 0.86 PPARG (0.36) HPGD
SCHEMBL23370318 0.83 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL24853738 0.78 PPARG (0.36) CYP1A2CYP3A4CYP2C19HPGD
SCHEMBL23370307 0.78 NPC1 (0.36) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL23370331 0.74 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL29617881 0.73 RXRA (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL29617882 0.73 RXRA (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL29617951 0.72 CDK9 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL24853726 0.71 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021094416-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-05-20 — — WO disclosed
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