SCHEMBL9808934

SCHEMBL9808934

Nc1ccc([S+]([O-])c2ccc(-c3ccccc3)cc2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 4/20 0.40
ALOX15 P16050 3/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
IKBKB O14920 1/20 0.40
MAOA P21397 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL9808892 0.90 ALOX15 (0.36) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL9808942 0.84 TSHR (0.38) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL10469386 0.84 TDP1 (0.43) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL9808936 0.84 MEN1 (0.40) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL2785940 0.82 ALDH1A1 (0.50) TDP1ALDH1A1MAPTHSD17B10CYP3A4
SCHEMBL8772023 0.80 ALDH1A1 (0.47) TDP1ALDH1A1MAPTHSD17B10GAA
SCHEMBL9808941 0.79 TDP1 (0.56) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL12336913 0.77 ALDH1A1 (0.42) TDP1ALDH1A1MAPTHSD17B10CYP3A4
SCHEMBL10507644 0.77 ALDH1A1 (0.40) MEN1KMT2ATDP1ALDH1A1ALOX15
SCHEMBL10505528 0.77 TDP1 (0.52) MEN1KMT2ATDP1ALDH1A1MAPT

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