SCHEMBL27508683

SCHEMBL27508683

CC(C(=O)C(C)c1ccc(OCCCCNS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(OCCCCNS(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GAA P10253 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CA12 O43570 4/20 0.48
▸ CA1 P00915 4/20 0.48
▸ CA2 P00918 4/20 0.48
▸ CA4 P22748 4/20 0.48
▸ CA9 Q16790 4/20 0.48
▸ MMP2 P08253 2/20 0.48
▸ MMP14 P50281 2/20 0.48
▸ ADAMTS4 O75173 1/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ ADAMTS5 Q9UNA0 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ MMP9 P14780 1/20 0.46
▸ ADAM17 P78536 1/20 0.46

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
SCHEMBL27508684 0.84 MEN1 (0.53) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL8794869 0.82 L3MBTL1 (0.56) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL8486316 0.78 PPARA (0.52) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL8488202 0.77 GAA (0.56) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL9510762 0.75 GRIA4 (0.46) MEN1KMT2AGAAALDH1A1CA12
SCHEMBL9780583 0.72 ALDH1A1 (0.67) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL9512047 0.72 IDO1 (0.60) ALDH1A1KDM4EMMP2MMP14ADAMTS4
SCHEMBL8487175 0.72 MEN1 (0.49) MEN1KMT2AGAAALDH1A1MMP2
SCHEMBL6323398 0.71 ADAMTS4 (0.61) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL27513379 0.71 GPR88 (0.57) —

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
CN-1162596-A Antiarrhythmic Agents AMERICAN CYANAMID CO (US) 1997-10-22 — — CN claimed
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