SCHEMBL11025593

SCHEMBL11025593

O=S(=O)(Oc1cccc(Cl)c1Cl)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP2A6 P11509 2/20 0.43
CYP1A2 P05177 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ESR1 P03372 1/20 0.43
GAA P10253 1/20 0.43
ESR2 Q92731 1/20 0.43
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
MAPT P10636 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TP53 P04637 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL6099899 0.84 HTR6 (0.54) HTR6CA1CA2CA9MEN1
SCHEMBL11577305 0.82 HTR6 (0.53) HTR6CA1CA2CA9MEN1
Formaldehyde SCHEMBL29278572 0.81 HTR6 (0.52) HTR6CA1CA2CA9MEN1
SCHEMBL30011539 0.76 ALPL (0.39) HTR6MEN1KMT2AESR1GAA
SCHEMBL10594626 0.76 ALPL (0.39) HTR6MEN1KMT2AESR1GAA
SCHEMBL680069 0.76 ALDH1A1 (0.53) HTR6CYP1A2MEN1KMT2AESR1
SCHEMBL680012 0.76 ALDH1A1 (0.53) HTR6CYP1A2MEN1KMT2AESR1
SCHEMBL15758201 0.75 NR4A1 (0.57) HTR6CA1CA2CA9CYP1A2
SCHEMBL5176359 0.74 CA1 (0.53) HTR6CA1CA2CA9MEN1
SCHEMBL9456432 0.74 GAA (0.53) HTR6CA1CA2CA9CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041590-B1 CHEMICAL INDICATOR REAGENT FOR THE IN VITRO DETECTION OF PREGNANCY La Société Anstalt, dite FARMATEST (LI) 1985-02-20 EP claimed
WO-1982000060-A1 CHEMICAL REACTANT INDICATOR FOR THE DIAGNOSTIC\"IN VITRO\"OF PREGNANCY FARMATEST (LI) 1982-01-07 WO claimed
EP-0041590-A1 Chemical indicator reagent for the in vitro detection of pregnancy La Société Anstalt, dite FARMATEST (LI) 1981-12-16 EP claimed