SCHEMBL8862047

SCHEMBL8862047

COC(=O)c1cccc(CS)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.70
CYP4F2 P78329 2/20 0.68
CYP4A11 Q02928 2/20 0.68
FOLH1 Q04609 2/20 0.62
SLC7A5 Q01650 1/20 0.59
MRGPRX4 Q96LA9 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HIF1A Q16665 1/20 0.52
TSHR P16473 1/20 0.52
HPGD P15428 1/20 0.51
NPC1 O15118 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ABHD6 Q9BV23 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL6011697 0.86 CYP4F2 (0.73) LOXL2CYP4F2CYP4A11FOLH1SLC7A5
SCHEMBL70173 0.85 CYP4F2 (0.83) LOXL2CYP4F2CYP4A11FOLH1SLC7A5
SCHEMBL126284 0.85 LOXL2 (0.74) LOXL2CYP4F2CYP4A11FOLH1SLC7A5
SCHEMBL40012 0.84 CYP4F2 (0.75) LOXL2CYP4F2CYP4A11FOLH1SLC7A5
SCHEMBL31276630 0.84 CYP4F2 (0.75) LOXL2CYP4F2CYP4A11FOLH1SLC7A5
SCHEMBL30230926 0.84 LOXL2 (0.72) LOXL2CYP4F2CYP4A11FOLH1SLC7A5
SCHEMBL95887 0.84 LOXL2 (0.72) LOXL2CYP4F2CYP4A11FOLH1SLC7A5
SCHEMBL8921794 0.83 CYP4A11 (0.73) LOXL2CYP4F2CYP4A11FOLH1SLC7A5
SCHEMBL5564526 0.82 LOXL2 (0.70) LOXL2CYP4F2CYP4A11FOLH1SLC7A5
SCHEMBL6032783 0.82 LOXL2 (0.70) LOXL2CYP4F2CYP4A11FOLH1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656636-A TREATING PSORIASIS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
US-5633258-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-27 US disclosed
US-5631262-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US disclosed
EP-0604529-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1994-07-06 EP disclosed
WO-1993006085-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-01 WO disclosed
EP-0123543-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1988-02-03 EP disclosed
US-4609744-A 4-oxo-benzopyran carboxylic acids MERCK FROSST CANADA INC. (CA) 1986-09-02 US disclosed
EP-0123543-A1 Leukotriene antagonists, their production and use and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-10-31 EP disclosed