SCHEMBL9580065

SCHEMBL9580065

O=S(=O)(c1cc[c]cc1)c1ccc([S])cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
MPO P05164 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 3/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32

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
SCHEMBL818508 0.85 HTR6 (0.50) HTR6ALDH1A1CYP3A4MAPK1TSHR
SCHEMBL3781114 0.79 ALDH1A1 (0.42) HTR6ALDH1A1CYP3A4MAPK1TSHR
SCHEMBL3052955 0.77 GAA (0.53) HTR6ALDH1A1CYP3A4MAPK1TSHR
SCHEMBL9243675 0.77 ALDH1A1 (0.73) HTR6ALDH1A1CYP3A4MAPK1TSHR
SCHEMBL28422858 0.77 HTR6 (0.73) HTR6ALDH1A1CYP3A4MAPK1TSHR
SCHEMBL310696 0.77 GAA (0.73) ALDH1A1CYP3A4GAACYP2C9PKM
SCHEMBL164409 0.76 HTR6 (0.70) HTR6ALDH1A1TSHRPKMKMT2A
SCHEMBL9192027 0.74 CA1 (0.50) MAPT
SCHEMBL27564980 0.74 GAA (0.48) HTR6ALDH1A1CYP3A4TSHRGAA
SCHEMBL28198594 0.74 HTR6 (0.52) HTR6ALDH1A1GAAPKM

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
EP-0532893-A2 Depolymerization of polymers and their use in thermoset compositions and composites HERCULES INCORPORATED (US) 1993-03-24 EP disclosed