SCHEMBL9488917

SCHEMBL9488917

O=S(=O)(OC[C@H](O)CO)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 2/20 0.42
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL9488925 1.00 LMNA (0.44) LMNACA1CA2CA4CA7
SCHEMBL9488920 1.00 LMNA (0.44) LMNACA1CA2CA4CA7
SCHEMBL476991 0.81 CYP1A2 (0.41) LMNACA1CA2CA4CA7
SCHEMBL10436866 0.79 CA1 (0.43) LMNACA1CA2CA4CA7
SCHEMBL10436864 0.79 CA1 (0.43) LMNACA1CA2CA4CA7
SCHEMBL780327 0.78 PKM (0.48) LMNAGAAF2PRSS1PRSS2
SCHEMBL15000836 0.77 LMNA (0.55) LMNACA1CA2CA9GAA
SCHEMBL6115267 0.77 LMNA (0.55) LMNACA1CA2CA9GAA
SCHEMBL8091941 0.77 KMT2A (0.43) LMNAGAAF2MAPTALDH1A1
SCHEMBL4337229 0.76 TSHR (0.50) LMNACA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236944-A C1-4 alkyl(4-(2-(4-C1-4-alkylphenyl)-2(1H-imidazol-1-ylmethyl) -1,3-dioxolan-4-ylemthlthio)phenyl)carbamate JANSSEN PHARMACEUTICA N.V. (BE) 1993-08-17 US disclosed
EP-0335446-A2 Agents for treating neoplasms JANSSEN PHARMACEUTICA N.V. (BE) 1989-10-04 EP disclosed