SCHEMBL9756797

SCHEMBL9756797

O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1Br)c1ccc(-c2ccc(Cl)cc2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
ALOX5 P09917 1/20 0.39
KIF11 P52732 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL9756794 0.75 CYP2A6 (0.42) CA1CA2PTGS1PTGS2
SCHEMBL10977080 0.72 S100A4 (0.45) ALDH1A1CYP3A4MAPK1KIF11CA1
SCHEMBL15674635 0.69 ALOX5 (0.65) TSHRHTTALDH1A1MAPK1ALOX5
SCHEMBL560087 0.69 ALOX5 (0.43) TSHRALDH1A1CYP3A4ALOX5KIF11
SCHEMBL31450141 0.69 TSHR (0.54) TSHRHTTALDH1A1CYP3A4MAPK1
SCHEMBL4142707 0.69 TSHR (0.54) TSHRHTTALDH1A1CYP3A4MAPK1
SCHEMBL28218707 0.69 TSHR (0.54) TSHRHTTLMNAHPGDCA12
SCHEMBL15030399 0.69 GAA (0.55) ALDH1A1CYP3A4MAPK1KIF11
SCHEMBL449516 0.69 ALOX5 (0.39) ALOX5KIF11AHRCYP1A2
SCHEMBL869016 0.69 ERN1 (0.47) ALDH1A1ALOX5KIF11AHRCYP1A2

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-5037954-A Method to recover liquified poly(arylene sulfide) with separation agent PHILLIPS PETROLEUM COMPANY (US) 1991-08-06 US disclosed
EP-0436120-A2 Method to recover poly(arylene sulfide)s PHILLIPS PETROLEUM COMPANY (US) 1991-07-10 EP disclosed