SCHEMBL9685893

SCHEMBL9685893

O=C(c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[S+]([O-])CN2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.36
CNR1 P21554 8/20 0.36
TTR P02766 1/20 0.34
TPMT P51580 1/20 0.33
VCAM1 P19320 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
SRD5A2 P31213 2/20 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
SCHEMBL9483366 0.90 SRD5A2 (0.41) CNR2CNR1SRD5A2
SCHEMBL5727593 0.89 ERCC5 (0.40)
SCHEMBL9483959 0.83 HTT (0.45) SRD5A2
SCHEMBL5727289 0.83 ATM (0.44) VCAM1SRD5A2
SCHEMBL9483334 0.78 ALDH1A1 (0.48)
SCHEMBL5727378 0.78 MAPT (0.39)
SCHEMBL9484147 0.77 ALDH1A1 (0.44)
SCHEMBL9484177 0.75 HPGD (0.45) CNR2
SCHEMBL9483054 0.74 ATM (0.41)
SCHEMBL8786917 0.74 PTPN1 (0.41)

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-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed