SCHEMBL11819909

SCHEMBL11819909

O=C(O)c1cc(S(=O)(=O)N(c2cccc3ccccc23)c2cccc3ccccc23)ccc1SCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ POLB P06746 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ CCR2 P41597 1/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA4 P22748 1/20 0.41
▸ PTPN1 P18031 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
SCHEMBL11815680 0.93 MEN1 (0.48) GAAMEN1KMT2APOLBALDH1A1
SCHEMBL11816846 0.85 MEN1 (0.49) GAAMEN1KMT2APOLBALDH1A1
SCHEMBL11819780 0.83 GAA (0.43) GAAMEN1KMT2APOLBALDH1A1
SCHEMBL11821697 0.80 ALDH1A1 (0.49) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL11828522 0.78 MEN1 (0.47) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL11819669 0.76 ALDH1A1 (0.51) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL11824126 0.75 KMT2A (0.59) GAAMEN1KMT2APOLBALDH1A1
SCHEMBL11823209 0.75 VCAM1 (0.47) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL11816192 0.75 MAPT (0.48) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL11817412 0.75 CA2 (0.52) MEN1KMT2APOLBALDH1A1SMN1; SMN2

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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