SCHEMBL7474968

SCHEMBL7474968

O=S(=O)(c1cc[c]cc1)c1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
LOXL2 Q9Y4K0 5/20 0.49
LOX P28300 3/20 0.49
MAOA P21397 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MCOLN3 Q8TDD5 2/20 0.47
TSHR P16473 1/20 0.47
AKR1B1 P15121 1/20 0.46
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1952494 0.86 LMNA (0.68) LMNALOXL2LOXMAOAL3MBTL1
SCHEMBL3934050 0.84 HTR6 (0.61) LMNALOXL2LOXMAOAL3MBTL1
SCHEMBL6211177 0.82 CYP2A6 (0.39) LMNALOXL2LOXMAOAL3MBTL1
SCHEMBL9587829 0.79 GAA (0.61) LMNALOXL2LOXMAOAL3MBTL1
SCHEMBL13241564 0.79 ALDH1A1 (0.61) LMNALOXL2LOXMAOAL3MBTL1
SCHEMBL10388959 0.79 HTR6 (0.61) LMNALOXL2LOXMAOAL3MBTL1
SCHEMBL10450426 0.79 PGR (0.59) LMNALOXL2LOXMAOAL3MBTL1
SCHEMBL7268000 0.79 NPC1 (0.59) LMNALOXL2LOXMAOAL3MBTL1
SCHEMBL164409 0.78 HTR6 (0.70) LOXL2LOXMAOATSHRCA1
SCHEMBL818508 0.77 HTR6 (0.50) LMNATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed