SCHEMBL29586753

SCHEMBL29586753

FC(F)c1cc(-c2c(Cl)cccc2Oc2ncc(Cl)cn2)no1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RXRA P19793 2/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ CHRNB2 P17787 7/20 0.32
▸ CHRNA4 P43681 7/20 0.32
▸ HSP90AA1 P07900 3/20 0.32
▸ HSP90AB1 P08238 2/20 0.32
▸ MAPT P10636 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL20607618 1.00 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL16915391 0.89 CHRNB2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL31403296 0.89 CHRNB2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL20558547 0.88 POLB (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL20558420 0.88 RXRA (0.34) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL31532179 0.83 CXCR1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL16915393 0.83 CXCR1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL20558340 0.82 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL20558343 0.82 KMT2A (0.36) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL29457643 0.82 CYP1A2 (0.33) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022220294-A1 PEST CONTROL COMPOSITION AND CONTROL METHOD 住友化学株式会社 2022-10-20 — — WO disclosed
WO-2022118814-A1 LIQUID AGROCHEMICAL COMPOSITION 住友化学株式会社 2022-06-09 — — WO disclosed
WO-2022118813-A1 SOLID AGROCHEMICAL FORMULATION 住友化学株式会社 2022-06-09 — — WO disclosed
WO-2022118815-A1 SOLID AGRICHEMICAL PREPARATION 住友化学株式会社 2022-06-09 — — WO disclosed
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