SCHEMBL5721726

SCHEMBL5721726

CCCC[Sn](CCCC)(CCCC)c1ccc(C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.34
TLR8 Q9NR97 2/20 0.32
KIF11 P52732 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
GPX4 P36969 1/20 0.30
RAB9A P51151 1/20 0.30
PAX8 Q06710 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
SCHEMBL14634134 0.84
SCHEMBL7508450 0.84 HTR7 (0.33) ALDH1A1
SCHEMBL5951974 0.81 MAPT (0.38) TLR8KDM4EMAPTHTTNPC1
SCHEMBL18760053 0.81
SCHEMBL1453413 0.78 TLR8 (0.36) TLR8KDM4EMAPTHTTNPC1
SCHEMBL7505763 0.76 SMN1; SMN2 (0.36) TLR8NPC1ALDH1A1RAB9A
SCHEMBL31558464 0.76 SMN1; SMN2 (0.36) TLR8NPC1ALDH1A1RAB9A
SCHEMBL7505842 0.74 EPHX2 (0.36)
SCHEMBL28631957 0.73 CA3 (0.33)
SCHEMBL14634135 0.73 ALDH1A1 (0.34) ALDH1A1TP53

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-1650202-A1 4,5-DIHYDRONAPHTHO [1,2-b] THIOPHENE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2006-04-26 EP disclosed