SCHEMBL27508684

SCHEMBL27508684

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

nearest known ligand 0.53

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 6/20 0.48
▸ PKM P14618 1/20 0.48
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MMP2 P08253 2/20 0.43
▸ MMP14 P50281 2/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MMP9 P14780 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 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
SCHEMBL27508683 0.84 MEN1 (0.53) MEN1KMT2AGAAALDH1A1PKM
SCHEMBL8794869 0.78 L3MBTL1 (0.56) MEN1KMT2AGAAALDH1A1PKM
SCHEMBL8488202 0.77 GAA (0.56) MEN1KMT2AGAAALDH1A1PKM
SCHEMBL8486316 0.74 PPARA (0.52) MEN1KMT2AGAAALDH1A1PKM
SCHEMBL9510762 0.73 GRIA4 (0.46) MEN1KMT2AGAAALDH1A1HTT
SCHEMBL9780583 0.72 ALDH1A1 (0.67) MEN1KMT2AGAAALDH1A1PKM
SCHEMBL8487175 0.72 MEN1 (0.49) MEN1KMT2AGAAALDH1A1PKM
SCHEMBL15173547 0.71 MAPK1 (0.48) —
SCHEMBL8795364 0.71 CYP2D6 (0.52) MEN1KMT2AGAAALDH1A1PKM
SCHEMBL9078385 0.71 MEN1 (0.63) MEN1KMT2AALDH1A1PKMHTT

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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