SCHEMBL9808911

SCHEMBL9808911

COc1ccc(-c2ccccc2[S+]([O-])c2ccccc2-c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43

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
SCHEMBL10507595 0.86 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL4623856 0.79 ALDH1A1 (0.57) ALDH1A1TDP1MAPTHTTSMN1; SMN2
SCHEMBL7562427 0.78 ALDH1A1 (0.61) ALDH1A1TDP1MAPTHTTSMN1; SMN2
SCHEMBL9808905 0.77 ALDH1A1 (0.42) ALDH1A1TDP1MAPTHTTSMN1; SMN2
SCHEMBL9808915 0.77 PDGFRB (0.53) ALDH1A1TDP1MAPTHTTSMN1; SMN2
SCHEMBL25295556 0.76 ALDH1A1 (0.52) ALDH1A1TDP1MAPTHTTSMN1; SMN2
SCHEMBL26832242 0.76 ALDH1A1 (0.46) ALDH1A1TDP1MAPTHTTSMN1; SMN2
SCHEMBL6309234 0.76 ALDH1A1 (0.57) ALDH1A1TDP1MAPTHTTSMN1; SMN2
SCHEMBL27986575 0.76 ALDH1A1 (0.57) ALDH1A1TDP1MAPTHTTSMN1; SMN2
SCHEMBL9808908 0.75 LMNA (0.50) ALDH1A1MAPTHTTMEN1KMT2A

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 3 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-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