SCHEMBL9808912

SCHEMBL9808912

CCNc1ccc(-c2ccc([S+]([O-])c3ccc(-c4ccc(NCC)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
HCAR3 P49019 3/20 0.53
GAA P10253 1/20 0.50
MAPT P10636 4/20 0.47
ABCB1 P08183 2/20 0.46
ALDH1A1 P00352 2/20 0.45
ABCC1 P33527 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 1/20 0.41
KAT2B Q92831 2/20 0.40
POLB P06746 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
SCHEMBL9808916 0.85 HCAR3 (0.56) LMNAHCAR3GAAMAPTALDH1A1
SCHEMBL9808908 0.79 LMNA (0.50) LMNAHCAR3GAAMAPTABCB1
SCHEMBL9808939 0.77 KDM4E (0.45) LMNAGAAMAPTABCB1ALDH1A1
SCHEMBL10507601 0.75 MAPT (0.49) LMNAGAAMAPTALDH1A1HTT
SCHEMBL27471431 0.75 MAPT (0.64) LMNAHCAR3GAAMAPTALDH1A1
SCHEMBL5981763 0.74 HCAR3 (0.63) LMNAHCAR3GAAMAPTALDH1A1
SCHEMBL6250970 0.74 KAT2B (0.66) LMNAHCAR3MAPTALDH1A1HTT
SCHEMBL30169708 0.74 HCAR3 (0.63) LMNAHCAR3GAAMAPTALDH1A1
SCHEMBL5149985 0.73 ALDH1A1 (0.67) LMNAHCAR3MAPTALDH1A1HTT
SCHEMBL4428318 0.73 HCAR3 (0.61) LMNAHCAR3GAAMAPTALDH1A1

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