SCHEMBL6896499

SCHEMBL6896499

O=C1c2ccccc2S(=O)(=O)N1C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
CA9 Q16790 10/20 0.51
CA2 P00918 4/20 0.51
FBP1 P09467 1/20 0.49
CA12 O43570 10/20 0.49
ELANE P08246 3/20 0.49
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL6903492 0.98 TSHR (0.56) TSHRCA9CA2FBP1CA12
SCHEMBL11305121 0.85 TSHR (0.54) TSHRCA9CA2FBP1CA12
Hydrochloric Acid SCHEMBL11242959 0.84 TSHR (0.52) TSHRCA9CA2FBP1CA12
SCHEMBL29256303 0.77 TSHR (0.49) TSHRCA9CA2FBP1CA12
SCHEMBL24717654 0.77 TSHR (0.49) TSHRCA9CA2FBP1CA12
SCHEMBL29256314 0.76 TSHR (0.48) TSHRCA9CA2FBP1CA12
SCHEMBL29256320 0.75 TSHR (0.47) TSHRCA9CA2FBP1CA12
SCHEMBL11810289 0.74 OPRL1 (0.56) TSHR
Supidimide SCHEMBL828138 0.74 TSHR (0.56) TSHRCA9CA2FBP1CA12
SCHEMBL675058 0.73 CA9 (0.47) TSHRCA9CA2CA12ELANE

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
EP-1274781-B1 POLYCARBONATE COMPOSITION RESISTANT TO GAMMA RADIATION BAYER AG (US) 2004-12-15 EP claimed
US-6197854-B1 Polycarbonate composition resistant to gamma radiation BAYER CORPORATION 2001-03-06 US claimed