SCHEMBL9808939

SCHEMBL9808939

CCNc1ccc(-c2ccc([S+]([O-])c3ccc(-c4ccc(NCC)c(N)c4)cc3)cc2)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
PLEC Q15149 1/20 0.45
LMNA P02545 2/20 0.35
AAK1 Q2M2I8 3/20 0.33
KIF11 P52732 2/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRSS1 P07477 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL9808943 0.83 GAA (0.48) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL9808912 0.77 LMNA (0.54) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL9808933 0.77 MAPT (0.41) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL14878651 0.70 GAA (0.58) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL8522276 0.70 LMNA (0.51) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL9808914 0.69 ALDH1A1 (0.48) ALDH1A1MAPTGAATHRBHTT
SCHEMBL11543987 0.69 MAPT (0.56) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL2722710 0.69 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL24463115 0.67 KDM4E (0.54) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL2018111 0.67 ALDH1A1 (0.54) KDM4EALDH1A1MAPTHPGDGAA

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