SCHEMBL9637014

SCHEMBL9637014

Cc1cc([S+]([O-])c2ccc(I)cc2)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.33
PTGS2 P35354 2/20 0.32
ACHE P22303 1/20 0.31
TSHR P16473 2/20 0.31
PTGS1 P23219 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2784582 0.77 CA1 (0.36)
SCHEMBL20198348 0.76 ACHE (0.38) RAPGEF4ACHE
SCHEMBL2788624 0.75 TDP1 (0.43) ACHETSHRSMN1; SMN2
SCHEMBL4127095 0.74 HDAC1 (0.37) PTGS2ACHETSHRSMN1; SMN2
SCHEMBL30176409 0.73
SCHEMBL1049725 0.73
SCHEMBL26934437 0.71 CES2 (0.37) ACHETSHR
SCHEMBL24952545 0.71 CES2 (0.36)
SCHEMBL22199221 0.69 HTR2A (0.44) SMN1; SMN2
SCHEMBL20384374 0.69 NFE2L2 (0.34) PTGS2ACHEPTGS1

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