SCHEMBL9808916

SCHEMBL9808916

CCNc1ccc([S+]([O-])c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.56
LMNA P02545 2/20 0.50
MAPT P10636 7/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL9808912 0.85 LMNA (0.54) HCAR3LMNAMAPTALDH1A1GAA
SCHEMBL11656952 0.80 MAPT (0.54) HCAR3MAPTALDH1A1POLBHTT
SCHEMBL9808943 0.77 GAA (0.48) HCAR3LMNAMAPTALDH1A1GAA
SCHEMBL10507609 0.76 GAA (0.49) LMNAMAPTALDH1A1GAAPOLB
SCHEMBL9808908 0.75 LMNA (0.50) HCAR3LMNAMAPTALDH1A1GAA
SCHEMBL162875 0.74 KAT2B (0.60) HCAR3LMNAMAPTALDH1A1HTT
SCHEMBL9808913 0.74 VCAM1 (0.51) LMNAMAPTALDH1A1GAAHTT
SCHEMBL11197700 0.74 MAPK1 (0.50) LMNAMAPTALDH1A1POLBHTT
SCHEMBL9808904 0.74 TDP1 (0.51) LMNAMAPTALDH1A1POLBKMT2A
SCHEMBL9808919 0.73 ALDH1A1 (0.54) LMNAMAPTALDH1A1POLBHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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