SCHEMBL9637207

SCHEMBL9637207

CC(C)c1cc([S+]([O-])c2ccc(I)c(C(C)C)c2)ccc1I

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 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
SCHEMBL23664861 0.86 GABRA1 (0.32) GABRA1GABRB1GABRB2
SCHEMBL9297249 0.76 GABRA1 (0.43) GABRA1GABRB1GABRB2
SCHEMBL13818840 0.72 GABRA1 (0.50) GABRA1GABRB1GABRB2
SCHEMBL12656507 0.70 TRPA1 (0.50) GABRA1GABRB1GABRB2
SCHEMBL22560743 0.70 LMNA (0.41) GABRA1GABRB1GABRB2
SCHEMBL31438459 0.70 LMNA (0.41) GABRA1GABRB1GABRB2
SCHEMBL6233090 0.68 CA1 (0.56) GABRA1GABRB1GABRB2
SCHEMBL21580635 0.68 GABRA1 (0.46) GABRA1GABRB1GABRB2
SCHEMBL19366055 0.68 GABRA1 (0.46) GABRA1GABRB1GABRB2
SCHEMBL3979806 0.68 GABRA1 (0.46) GABRA1GABRB1GABRB2

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-5144004-A Heat resistance, selective degradation, reaction of halogen substituted sulfones and sulfoxides and alkali metal sulfides PHILLIPS PETROLEUM COMPANY (US) 1992-09-01 US disclosed