SCHEMBL18072759

SCHEMBL18072759

Cc1c(-c2nc3cc(C(F)(F)F)ccc3n2C)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.41
▸ SCN4A P35499 1/20 0.41
▸ AGPAT2 O15120 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ MEN1 O00255 2/20 0.36

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
SCHEMBL18050232 0.84 AGPAT2 (0.40) EPHX2SCN4AAGPAT2HRH4KIF11
SCHEMBL18050298 0.82 AGPAT2 (0.39) AGPAT2HRH4PIK3CAPIK3CBPIK3CG
SCHEMBL18072963 0.73 ALDH1A1 (0.32) EPHX2SCN4AAGPAT2HRH4KIF11
SCHEMBL8058929 0.72 KDM4E (0.50) KDM4EHSD17B10NPC1ALDH1A1MAPT
SCHEMBL19299836 0.72 AGPAT2 (0.31) AGPAT2HRH4PIK3CAPIK3CBPIK3CG
SCHEMBL18050222 0.72 S1PR1 (0.34) AGPAT2ALDH1A1HPGD
SCHEMBL167098 0.71 MEN1 (0.57) AGPAT2KIF11KDM4EHSD17B10NPC1
SCHEMBL10281012 0.71 HSD11B1 (0.52) AGPAT2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11180476 0.71 KIF11 (0.47) AGPAT2KIF11KDM4EHSD17B10PIK3CA
SCHEMBL13811129 0.71 KIF11 (0.42) EPHX2SCN4AKIF11KDM4EALDH1A1

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
WO-2016142327-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 — — WO disclosed
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