SCHEMBL4452331

SCHEMBL4452331

O=C(c1cc(Br)cc(S(=O)(=O)O)c1)c1cc(Br)cc(S(=O)(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
BRD4 O60885 1/20 0.36
ING2 Q9H160 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
HTT P42858 3/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
ACLY P53396 1/20 0.35
ACP1 P24666 1/20 0.34
ALOX15 P16050 1/20 0.34
ITGA1 P56199 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL197184 0.82 LCK (0.46) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL11078671 0.80 LCK (0.44) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL1168105 0.77 HTT (0.43) HTTTSHRSMN1; SMN2LMNAALOX15
SCHEMBL4452071 0.76 LCK (0.41) LCKFYNING2LOXL2TSHR
SCHEMBL11349722 0.75 LCK (0.52) LCKFYNING2HTTTSHR
SCHEMBL4440767 0.75 LCK (0.52) LCKFYNING2ACP1CA12
SCHEMBL17262653 0.74 LMNA (0.44) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL17262651 0.72 ALDH1A1 (0.50) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL27468675 0.72 LCK (0.39) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL1510131 0.72 LCK (0.39) LCKFYNING2TSHRSMN1; 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
US-20090269645-A1 POLYMER, POLYMER ELECTROLYTE AND FUEL CELL USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-29 US disclosed