SCHEMBL8488202

SCHEMBL8488202

O=S(=O)(NCCCCOc1cc[c]cc1)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ ALDH1A1 P00352 6/20 0.49
▸ PKM P14618 3/20 0.49
▸ SIGMAR1 Q99720 4/20 0.46
▸ HTT P42858 1/20 0.45
▸ MMP2 P08253 2/20 0.43
▸ MMP14 P50281 2/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ ADAM17 P78536 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 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
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8794869 0.80 L3MBTL1 (0.56) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL9780583 0.79 ALDH1A1 (0.67) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL8488199 0.78 GAA (0.52) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL8486316 0.78 PPARA (0.52) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL27508683 0.77 MEN1 (0.53) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL27508684 0.77 MEN1 (0.53) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL8487175 0.76 MEN1 (0.49) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL10453046 0.76 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1SIGMAR1TDP1
SCHEMBL1876555 0.75 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1PKMHTT
SCHEMBL1148367 0.75 GAA (0.60) GAAKMT2AMEN1ALDH1A1PKM

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-5877196-A N- 4-(imidazolyl or pyrazolyl)phenyl(oxy, sulfinyl, sulfenyl or sulfonyl)alkyl!carboxamides, sulfonamides or phosphoramides having antiarrhythmic properties AMERICAN CYANAMID COMPANY (US) 1999-03-02 — — US disclosed
Send feedback