SCHEMBL9808901

SCHEMBL9808901

Nc1ccc(-c2cc(F)ccc2[S+]([O-])c2ccc(F)cc2-c2ccc(N)c(N)c2)cc1N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.38
ABL1 P00519 2/20 0.33
NPC1 O15118 1/20 0.33
KCNH2 Q12809 2/20 0.33
KEAP1 Q14145 1/20 0.33
CYP1A1 P04798 2/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL9808924 0.86 TSHR (0.35) ALDH1A1ABL1NPC1CYP1A1
SCHEMBL9808951 0.81 TDP1 (0.55) MEN1KMT2ATDP1ALDH1A1
SCHEMBL9808963 0.80 TSHR (0.48) MEN1KMT2ATDP1ALDH1A1KCNH2
SCHEMBL9808893 0.80 TDP1 (0.48) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL9808954 0.76 CYP3A4 (0.41) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL9808897 0.76 MEN1 (0.38) MEN1KMT2ATDP1KCNH2
SCHEMBL4131774 0.75 MAP2K4 (0.39) ALDH1A1
SCHEMBL29655028 0.73 ALDH1A1 (0.56) MEN1KMT2ATDP1ALDH1A1CYP1A1
SCHEMBL28012264 0.73 ALDH1A1 (0.56) MEN1KMT2ATDP1ALDH1A1CYP1A1
SCHEMBL4048618 0.69 TDP1 (0.70) MEN1KMT2ATDP1ALDH1A1KCNH2

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