SCHEMBL9808933

SCHEMBL9808933

CCNc1ccc(-c2ccccc2[S+]([O-])c2ccccc2-c2ccc(NCC)c(N)c2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
PLEC Q15149 1/20 0.41
LMNA P02545 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL9808908 0.79 LMNA (0.50) MAPTALDH1A1GAAHTTLMNA
SCHEMBL9808939 0.77 KDM4E (0.45) MAPTKDM4EALDH1A1GAATHRB
SCHEMBL9808905 0.72 ALDH1A1 (0.42) MAPTALDH1A1GAATHRBHTT
SCHEMBL9808943 0.72 GAA (0.48) MAPTKDM4EALDH1A1GAATHRB
SCHEMBL14878651 0.66 GAA (0.58) MAPTKDM4EALDH1A1GAATHRB
SCHEMBL3289155 0.66 HPRT1 (0.40) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL29922726 0.66 MAPT (0.47) MAPTKDM4EALDH1A1GAATHRB
SCHEMBL650708 0.66 MAPT (0.47) MAPTKDM4EALDH1A1GAATHRB
SCHEMBL10452552 0.65 HCAR3 (0.54) MAPTALDH1A1GAA
SCHEMBL11543987 0.65 MAPT (0.56) MAPTKDM4EALDH1A1GAATHRB

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