SCHEMBL21574072

SCHEMBL21574072

COc1c(C(=O)Nc2c(Br)cc(C(C)(C(C)(F)F)C(C)(F)F)cc2OC(F)F)cccc1N(C)C(=O)c1cc[n+](OC)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.33
PTPN1 P18031 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL21574048 0.87 GPBAR1 (0.36) RXFP1PTPN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16863570 0.85 PDE4A (0.33) RXFP1PTPN1NPC1ALDH1A1TP53
SCHEMBL16868801 0.83 PDE4A (0.34) RXFP1NPC1ALDH1A1TP53MAPT
SCHEMBL29376079 0.81 GPBAR1 (0.38) RXFP1ALDH1A1MAPTSMN1; SMN2GPBAR1
SCHEMBL16150671 0.81 GPBAR1 (0.38) RXFP1ALDH1A1MAPTSMN1; SMN2GPBAR1
SCHEMBL16868757 0.79 GPBAR1 (0.36) RXFP1GPBAR1
SCHEMBL18354509 0.76 PDE4A (0.32) NPC1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL18354705 0.75 MAPT (0.34) RXFP1NPC1ALDH1A1MAPTMAPK1
SCHEMBL18355933 0.74 PDE4A (0.31) NPC1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL24590303 0.74 DHODH (0.33) RXFP1SMN1; SMN2

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-3087053-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-11-20 EP disclosed