SCHEMBL4556933

SCHEMBL4556933

O=C(NCCc1ncc(CF)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.47
▸ TP53 P04637 2/20 0.45
▸ SCD O00767 3/20 0.44
▸ P2RX7 Q99572 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B13 Q7Z5P4 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL727891 0.88 GLA (0.47) GLATP53SCDP2RX7NPC1
Fluopyram SCHEMBL29353266 0.87 GLA (0.59) GLATP53P2RX7RAB9APOLB
Fluopyram SCHEMBL67230 0.87 GLA (0.59) GLATP53P2RX7RAB9APOLB
SCHEMBL19847610 0.87 TP53 (0.48) GLATP53SCDP2RX7NPC1
SCHEMBL10106053 0.86 TP53 (0.48) GLATP53SCDP2RX7NPC1
SCHEMBL16541062 0.86 LMNA (0.45) GLATP53SCDP2RX7NPC1
SCHEMBL19141018 0.84 GLA (0.51) GLATP53SCDP2RX7HPGD
SCHEMBL16654893 0.83 P2RX7 (0.46) GLATP53P2RX7HPGDPOLB
SCHEMBL16552195 0.82 P2RX7 (0.45) GLATP53SCDP2RX7NPC1
Fluopyram SCHEMBL2847533 0.82 GLA (0.53) GLATP53P2RX7RAB9APOLB

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-1751109-B1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE TRANSPORT OF ELECTRONS OF THE RESPIRATORY CHAIN IN PHYTOPATHOGENIC FUNGAL ORGANISMS BAYER CROPSCIENCE SA (FR) 2009-04-15 — — EP claimed
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