SCHEMBL9808967

SCHEMBL9808967

CN(C)c1ccc([S+]([O-])c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.52
KDM4E B2RXH2 3/20 0.50
GLA P06280 1/20 0.50
ALDH1A1 P00352 9/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 9/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GALR3 O60755 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9808904 0.77 TDP1 (0.51) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL11197700 0.77 MAPK1 (0.50) KDM4EALDH1A1HTTMAPTMAPK1
SCHEMBL9808913 0.77 VCAM1 (0.51) ALDH1A1HTTMAPTSMN1; SMN2LMNA
SCHEMBL9808919 0.77 ALDH1A1 (0.54) ALDH1A1HTTMAPTSMN1; SMN2NPC1
SCHEMBL9808976 0.75 GAA (0.43) MAPTMAPK1KMT2AMEN1GAA
SCHEMBL9808961 0.74 TDP1 (0.51) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL10507609 0.73 GAA (0.49) ALDH1A1HTTMAPTMAPK1SMN1; SMN2
SCHEMBL9808916 0.73 HCAR3 (0.56) HCAR3ALDH1A1HTTMAPTLMNA
SCHEMBL11656952 0.72 MAPT (0.54) HCAR3GLAALDH1A1HTTMAPT
SCHEMBL1405552 0.72 MAPT (0.70) HCAR3KDM4EGLAALDH1A1HTT

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 4 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-4956007-A Nitraminodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them RICHTER GEDEON VEGYESZETI GYOR RT. (HU) 1990-09-11 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