SCHEMBL1646274

SCHEMBL1646274

Brc1cc(Br)c(CCSSCCc2c(Br)cc(Br)cc2Br)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
AHR P35869 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
SCHEMBL22653561 0.81 TDP1 (0.45) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL1647000 0.75 CA2 (0.33) TDP1
SCHEMBL10454321 0.74 TDP1 (0.39) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL1645349 0.72 IDO1 (0.39)
SCHEMBL18243264 0.72 CYP3A4 (0.38) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL22390790 0.72 CYP3A4 (0.43) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL11155175 0.72 CYP3A4 (0.38) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL1648129 0.70 PYCR1 (0.40) TSHRTDP1AHR
SCHEMBL18242246 0.68 CYP3A4 (0.35) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL11157916 0.68 CYP3A4 (0.35) CYP3A4TSHRTDP1GABRA1GABRB1

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
US-8426526-B2 Solid golf ball SRI SPORTS LIMITED (JP) 2013-04-23 US disclosed
US-20110086727-A1 SOLID GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2011-04-14 US disclosed