SCHEMBL22805019

SCHEMBL22805019

O=C(CC(=O)C(F)(F)F)c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 4/20 0.60
▸ PLOD3 O60568 3/20 0.54
▸ PLOD1 Q02809 3/20 0.54
▸ CES1 P23141 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PTPN1 P18031 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ ERCC5 P28715 2/20 0.41
▸ FEN1 P39748 2/20 0.41

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
SCHEMBL523476 0.84 PLOD2 (0.69) PLOD2PLOD3PLOD1CES1SMN1; SMN2
SCHEMBL29623599 0.83 PLOD2 (0.55) PLOD2PLOD3PLOD1SMN1; SMN2MAPT
SCHEMBL10613054 0.83 PLOD2 (0.67) PLOD2PLOD3PLOD1CES1SMN1; SMN2
SCHEMBL9565951 0.83 PLOD2 (0.67) PLOD2PLOD3PLOD1CES1SMN1; SMN2
SCHEMBL30846025 0.83 PLOD2 (0.67) PLOD2PLOD3PLOD1CES1SMN1; SMN2
SCHEMBL9630807 0.83 PLOD2 (0.67) PLOD2PLOD3PLOD1CES1SMN1; SMN2
SCHEMBL9654173 0.83 PLOD2 (0.67) PLOD2PLOD3PLOD1CES1SMN1; SMN2
SCHEMBL6666160 0.81 PLOD2 (0.66) PLOD2PLOD3PLOD1CES1SMN1; SMN2
Dimethylamine SCHEMBL10398768 0.80 PLOD2 (0.62) PLOD2PLOD3PLOD1CES1SMN1; SMN2
SCHEMBL31211553 0.78 CES1 (0.67) CES1CYP3A4MAPTKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986875-A1 PHENOXYPHENYL HYDROXYISOXAZOLINES AND ANALOGUES AS NEW ANTIFUNGAL AGENTS Bayer Aktiengesellschaft (DE) 2022-04-27 — — EP disclosed
WO-2020254490-A1 PHENOXYPHENYL HYDROXYISOXAZOLINES AND ANALOGUES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-12-24 — — WO disclosed
Send feedback