SCHEMBL21795751

SCHEMBL21795751

Cc1c(O)cnc(C(=O)O)c1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ASPH Q12797 2/20 0.43
KDM8 Q8N371 2/20 0.43
HCAR2 Q8TDS4 4/20 0.40
KMT2A Q03164 3/20 0.33
KMO O15229 1/20 0.33
CYP3A4 P08684 1/20 0.33
ACHE P22303 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MEN1 O00255 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MYC P01106 2/20 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
SCHEMBL28222305 0.73 HCAR2 (0.40) KDM4EHCAR2KMT2AKMOMEN1
SCHEMBL29877990 0.72 KDM4E (0.42) KDM4EASPHKDM8HCAR2KMT2A
SCHEMBL18396161 0.72 KDM4E (0.42) KDM4EASPHKDM8HCAR2KMT2A
SCHEMBL21045937 0.70 TPMT (0.39) KDM4EKMT2AKMOCYP3A4MEN1
SCHEMBL31032542 0.69 SELL (0.38) KDM4EASPHKDM8HCAR2KMT2A
SCHEMBL9787552 0.69 SELL (0.38) KDM4EASPHKDM8HCAR2KMT2A
SCHEMBL1747657 0.68 CYP3A4 (0.39) KDM4EASPHKDM8HCAR2KMT2A
SCHEMBL14212262 0.68 HCAR2 (0.48) KDM4EHCAR2ACHEALDH1A1
SCHEMBL1769880 0.68 KDM4E (0.39) KDM4EASPHKDM8HCAR2KMT2A
SCHEMBL15991202 0.68 SPR (0.48) KDM4EASPHKDM8HCAR2AGBL2

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
EP-3619196-A1 2-{[2-(PHENYLOXYMETHYL)PYRIDIN-5-YL]OXY}-ETHANAMIN-DERIVATIVES AND RELATED COMPOUNDS AS PEST-CONTROL AGENTS E.G. FOR THE PROTECTION OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2020-03-11 EP disclosed