SCHEMBL9808908

SCHEMBL9808908

CCNc1ccc(-c2ccccc2[S+]([O-])c2ccccc2-c2ccc(NCC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
HCAR3 P49019 1/20 0.49
MAPT P10636 5/20 0.48
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.45
ABCB1 P08183 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ABCC1 P33527 1/20 0.40
RAD52 P43351 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL10452552 0.83 HCAR3 (0.54) HCAR3MAPTGAAALDH1A1KMT2A
SCHEMBL9808933 0.79 MAPT (0.41) LMNAMAPTGAAALDH1A1HTT
SCHEMBL9808912 0.79 LMNA (0.54) LMNAHCAR3MAPTGAAALDH1A1
SCHEMBL10507595 0.78 ALDH1A1 (0.51) LMNAMAPTGAAALDH1A1KMT2A
SCHEMBL9808911 0.75 ALDH1A1 (0.50) LMNAMAPTALDH1A1ABCB1KMT2A
SCHEMBL9808916 0.75 HCAR3 (0.56) LMNAHCAR3MAPTGAAALDH1A1
SCHEMBL27989081 0.74 MAPT (0.43) LMNAHCAR3MAPTGAAALDH1A1
SCHEMBL27471431 0.74 MAPT (0.64) LMNAHCAR3MAPTGAAALDH1A1
SCHEMBL13206258 0.72 HCAR3 (0.51) HCAR3MAPTGAAALDH1A1ABCB1
SCHEMBL162875 0.71 KAT2B (0.60) LMNAHCAR3MAPTALDH1A1KMT2A

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