SCHEMBL9188296

SCHEMBL9188296

O=C(/C=C/C=C/C1C(F)C1c1ccc(Br)c(Br)c1)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.43
MAOA P21397 3/20 0.39
MMP1 P03956 5/20 0.37
MMP2 P08253 5/20 0.37
MMP9 P14780 5/20 0.37
EGFR P00533 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL9194181 0.87 MEN1 (0.34) MAOBMAOAMEN1NPC1LMNA
SCHEMBL9190865 0.86 MMP1 (0.40) MAOBMMP1MMP2MMP9EGFR
SCHEMBL9253964 0.85 MMP1 (0.41) MMP1MMP2MMP9EGFRMEN1
SCHEMBL9191180 0.84 NPC1 (0.34) MAOBMAOAMMP1MMP2MMP9
SCHEMBL9194378 0.83 EGFR (0.33) MAOBEGFR
SCHEMBL9190928 0.83 AKR1C3 (0.33)
SCHEMBL8846207 0.83 AKR1C3 (0.33)
SCHEMBL9566168 0.80 FAAH (0.39) MAOBEGFR
SCHEMBL9566090 0.79 RAB9A (0.47) MEN1NPC1LMNAMAPTKMT2A
SCHEMBL9192049 0.79 RAB9A (0.48) MEN1NPC1LMNAMAPTHTT

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
US-5459149-A Penta-2,4-dienamides and use as pesticides ROUSSEL UCLAF (FR) 1995-10-17 US disclosed
EP-0524041-B1 Pesticides ROUSSEL UCLAF (FR) 1995-09-20 EP disclosed
US-5270343-A Penta-2,4-dienamides and use as pesticides ROUSSEL UCLAF (FR) 1993-12-14 US disclosed
EP-0524041-A2 Pesticides ROUSSEL UCLAF (FR) 1993-01-20 EP disclosed