SCHEMBL10507601

SCHEMBL10507601

CCOc1ccc(-c2ccc([S+]([O-])c3ccc(-c4ccc(OCC)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 6/20 0.45
GAA P10253 1/20 0.44
RECQL P46063 2/20 0.44
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HTT P42858 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8973886 0.84 ALDH1A1 (0.58) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL9808915 0.84 PDGFRB (0.53) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL10507595 0.79 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL9808912 0.75 LMNA (0.54) MAPTALDH1A1LMNAGAAPOLB
SCHEMBL3994737 0.74 MAPT (0.64) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL1984504 0.74 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29151237 0.74 ALDH1A1 (0.72) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2611830 0.74 ALDH1A1 (0.61) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL30753688 0.74 MAPT (0.64) MAPTALDH1A1SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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