SCHEMBL9808922

SCHEMBL9808922

Nc1cc([S+]([O-])c2ccccc2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CASP6 P55212 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
CASP9 P55211 1/20 0.38
CASP8 Q14790 1/20 0.38

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
SCHEMBL9808942 0.91 TSHR (0.38) TSHRTP53CA12CA1CA2
SCHEMBL9808892 0.82 ALOX15 (0.36) TSHRTP53ALDH1A1MEN1KMT2A
SCHEMBL9808894 0.80 MAPT (0.42) TSHRTP53CA12CA1CA2
SCHEMBL11195200 0.78 ALDH1A1 (0.48) TSHRCA12CA1CA2CA9
SCHEMBL7032946 0.75 TSHR (0.46) TSHRTP53CA12CA1CA2
SCHEMBL12336893 0.74 TDP1 (0.35) TSHRCA12CA1CA2CA7
SCHEMBL9808934 0.74 MEN1 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL28222776 0.74 TSHR (0.50) TSHRTP53CA12CA1CA2
SCHEMBL9808918 0.74 ALDH1A1 (0.46) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL9808976 0.74 GAA (0.43) MEN1KMT2AMAPTGAA

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
US-4985463-A Aminodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1991-01-15 US disclosed
US-4831194-A Process for the preparation of nitrodiaryl sulfoxides RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1989-05-16 US disclosed
US-4710323-A Nitrodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them as active ingredient RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-12-01 US disclosed