SCHEMBL7144096

SCHEMBL7144096

O=C(CCl)c1ccc(F)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.59
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
HIF1A Q16665 2/20 0.47
TRPA1 O75762 1/20 0.45
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PIK3CA P42336 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
SLC2A1 P11166 1/20 0.42
MAPT P10636 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
SCHEMBL30025571 0.85 GSK3B (0.53) GSK3BALDH1A1MAPK1HIF1ATRPA1
SCHEMBL2630705 0.85 GSK3B (0.53) GSK3BALDH1A1MAPK1HIF1ATRPA1
SCHEMBL27503767 0.85 KCNQ3 (0.44) KCNQ3KCNQ2KCNE1KCNQ1TSHR
SCHEMBL29464070 0.84 CES2 (0.59) GSK3BALDH1A1MAPK1HIF1ATRPA1
SCHEMBL247898 0.84 CES2 (0.59) GSK3BALDH1A1MAPK1HIF1ATRPA1
SCHEMBL22570695 0.83 KCNQ3 (0.43) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29391582 0.83 GSK3B (0.60) GSK3BKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL311275 0.83 GSK3B (0.60) GSK3BKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2538090 0.83 TSHR (0.58) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22570705 0.82 TSHR (0.43) GSK3BALDH1A1KCNQ3KCNQ2KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114821-B1 Benzopyrans and their use as therapeutic agents SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP disclosed
EP-0764157-B1 BENZOPYRANS AND THEIR USE AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 2002-01-02 EP disclosed
EP-1114821-A1 Benzopyrans and their use as therapeutic agents SMITHKLINE BEECHAM PLC (GB) 2001-07-11 EP disclosed
US-5760074-A Treatment SMITHKLINE BEECHAM P.L.C. (GB) 1998-06-02 US disclosed
EP-0764157-A1 BENZOPYRANS AND THEIR USE AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-03-26 EP disclosed
WO-1995034545-A1 BENZOPYRANS AND THEIR USE AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1995-12-21 WO disclosed