SCHEMBL11819780

SCHEMBL11819780

O=C(O)c1cc(SCc2ccc([N+](=O)[O-])cc2)cc(S(=O)(=O)N(c2cccc3ccccc23)c2cccc3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ MMP1 P03956 3/20 0.42
▸ MMP2 P08253 3/20 0.42
▸ MMP9 P14780 3/20 0.42
▸ MMP8 P22894 3/20 0.42
▸ MMP13 P45452 3/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CA12 O43570 1/20 0.38

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
SCHEMBL11819909 0.83 GAA (0.46) GAAMEN1KMT2APOLBMMP1
SCHEMBL11815680 0.83 MEN1 (0.48) GAAMEN1KMT2APOLBMMP1
SCHEMBL11816846 0.82 MEN1 (0.49) GAAMEN1KMT2APOLBMMP1
SCHEMBL11810807 0.75 ALDH1A1 (0.41) MEN1KMT2APOLBMMP1MMP2
SCHEMBL11822223 0.74 MEN1 (0.46) MEN1KMT2APOLBCYP3A4CYP2C9
SCHEMBL11819988 0.74 LMNA (0.46) MEN1KMT2AALDH1A1LMNA
SCHEMBL11827554 0.72 KMT2A (0.43) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL6794925 0.71 ALDH1A1 (0.51) GAAMEN1KMT2APOLBCYP3A4
SCHEMBL11816911 0.71 CA12 (0.47) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL11822961 0.71 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNARAB9A

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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