SCHEMBL21574048

SCHEMBL21574048

COc1c(C(=O)Nc2c(Br)cc(C(C)(C(C)(F)F)C(F)(F)F)cc2OC(F)F)cccc1N(C)C(=O)c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 15/20 0.36
RXFP1 Q9HBX9 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MLYCD O95822 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL16150671 0.92 GPBAR1 (0.38) GPBAR1RXFP1ALDH1A1MAPTHTT
SCHEMBL29376079 0.92 GPBAR1 (0.38) GPBAR1RXFP1ALDH1A1MAPTHTT
SCHEMBL16868757 0.89 GPBAR1 (0.36) GPBAR1RXFP1MLYCD
SCHEMBL21574072 0.87 RXFP1 (0.33) GPBAR1RXFP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21574063 0.85 GPBAR1 (0.36) GPBAR1MLYCD
SCHEMBL22332345 0.84 GPBAR1 (0.38) GPBAR1RXFP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL18354632 0.83 MLYCD (0.36) GPBAR1RXFP1ALDH1A1MAPTHTT
SCHEMBL14844306 0.83 GPBAR1 (0.40) GPBAR1RXFP1ALDH1A1MAPTHTT
SCHEMBL18355489 0.82 MLYCD (0.35) GPBAR1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL16863570 0.82 PDE4A (0.33) GPBAR1RXFP1ALDH1A1MAPTSMN1; 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