SCHEMBL790689

SCHEMBL790689

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.51
ALDH1A1 P00352 5/20 0.42
TSHR P16473 5/20 0.42
GAA P10253 2/20 0.42
NPBWR1 P48145 1/20 0.42
KMT2A Q03164 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL14317978 0.99 ALPL (0.50) ALPLALDH1A1TSHRGAANPBWR1
SCHEMBL9954366 0.92 ALPL (0.50) ALPLALDH1A1TSHRKMT2AMEN1
SCHEMBL789809 0.91 ALPL (0.49) ALPLALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL9954690 0.84 ALPL (0.57) ALPLLMNASMN1; SMN2AAK1
SCHEMBL14247445 0.82 PDGFRB (0.39) ALPLALDH1A1TSHRGAANPBWR1
SCHEMBL1502534 0.80 ALPL (0.56) ALPLAAK1
SCHEMBL9953472 0.78 ALPL (0.62) ALPLL3MBTL1AAK1
SCHEMBL9954248 0.78 ALPL (0.54) ALPLTSHRAAK1
SCHEMBL9953660 0.78 ALPL (0.59) ALPLALDH1A1KDM4ESMN1; SMN2AAK1
SCHEMBL9953817 0.76 ALPL (0.56) ALPLALDH1A1TSHRGAAKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed