SCHEMBL11828522

SCHEMBL11828522

O=C(O)c1cc(S(=O)(=O)N(c2ccccc2)c2ccccc2)ccc1SCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ LMNA P02545 5/20 0.45
▸ MAPT P10636 4/20 0.45
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HTT P42858 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL11817412 0.87 CA2 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11821785 0.83 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11825522 0.82 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11817351 0.78 MEN1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11819909 0.78 GAA (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL1818910 0.78 MEN1 (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11821697 0.76 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11820871 0.76 ALDH1A1 (0.69) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11824107 0.75 CA2 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL11820464 0.74 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
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