SCHEMBL1817571

SCHEMBL1817571

Sc1c(Br)cccc1Br.[Zn]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
AHR P35869 1/20 0.33
MAPK1 P28482 1/20 0.33
NOS1 P29475 2/20 0.31
BACE1 P56817 2/20 0.31
AXL P30530 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
PARP1 P09874 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1817956 0.97
SCHEMBL1816557 0.93 ALDH1A1 (0.36) ALDH1A1AHRMAPK1NOS1BACE1
SCHEMBL1968056 0.81
SCHEMBL3885308 0.77
SCHEMBL13429846 0.77
SCHEMBL10667623 0.77
SCHEMBL14652683 0.77
SCHEMBL6900845 0.77
Fluoride SCHEMBL28297945 0.75 ALDH1A1 (0.52) ALDH1A1MAPK1CA1CA2CA9
SCHEMBL4306423 0.74 CYP2A6 (0.33)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592526-B2 Golf ball SRI SPORTS LIMITED (JP) 2013-11-26 US claimed
US-20110105244-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2011-05-05 US claimed
US-8592526-B2 Golf ball SRI SPORTS LIMITED (JP) 2013-11-26 US disclosed
US-20110105244-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2011-05-05 US disclosed