SCHEMBL9808919

SCHEMBL9808919

COc1ccc([S+]([O-])c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45

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
SCHEMBL10507609 0.85 GAA (0.49) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL9808915 0.84 PDGFRB (0.53) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL18830795 0.80 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL27703189 0.80 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL9808904 0.77 TDP1 (0.51) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL11197700 0.77 MAPK1 (0.50) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL9808913 0.77 VCAM1 (0.51) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL9808967 0.77 HCAR3 (0.52) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL9808918 0.75 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4KMT2AMEN1
SCHEMBL7562427 0.75 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRKMT2A

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