SCHEMBL7797160

SCHEMBL7797160

C#CCON=C(C)C(=NOC)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
MAPK14 Q16539 1/20 0.38
MAOB P27338 3/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
GCGR P47871 1/20 0.35
CHEK2 O96017 1/20 0.35
MAPT P10636 2/20 0.35
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
PPARG P37231 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
MTNR1B P49286 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL7797156 1.00 LTA4H (0.39) LTA4HMAPK14MAOBTLR8TLR7
SCHEMBL7797180 0.85 MAOB (0.55) MAOBMAPT
SCHEMBL7797177 0.85 MAOB (0.55) MAOBMAPT
SCHEMBL7798874 0.83 LTA4H (0.42) LTA4HMAPK14MAOBTLR8TLR7
SCHEMBL7498154 0.77 HIF1A (0.57) MAPK14MAOBGCGRCHEK2MAPT
SCHEMBL7494032 0.76 HIF1A (0.47) LTA4HMAPK14MAOBGCGRMAPT
SCHEMBL6835119 0.74 MAOB (0.56) MAOBMAPT
SCHEMBL7500251 0.74 HIF1A (0.57) MAOBMAPTHIF1A
SCHEMBL8544633 0.73 HIF1A (0.44) MAPK14MAOBTLR8TLR7GCGR
SCHEMBL7788337 0.72 KMT2A (0.49) MAOBPPARG

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-0912499-B1 PESTICIDES BAYER AG (DE) 2001-12-12 EP disclosed
US-6288071-B1 FUNGICIDES, INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed