SCHEMBL4390548

SCHEMBL4390548

COC(=O)c1[c]c(F)ccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
TSHR P16473 2/20 0.41
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 2/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.36
CFTR P13569 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35

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
SCHEMBL127720 0.86 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL6784218 0.80 CA12 (0.49) CA1CA2CA12CA7CA9
SCHEMBL8026225 0.78 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL9195826 0.78 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL21179316 0.78 THRB (0.37) KMT2AMAPTALDH1A1MAPK1
SCHEMBL3891739 0.77 CA12 (0.44) CA1CA2CA12CA7CA9
SCHEMBL27847162 0.77 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL27556890 0.77 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL148613 0.75 ALB (0.42) CA1CA2CA12CA7CA9
SCHEMBL7260462 0.74 L3MBTL1 (0.42) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493744-B1 Tropane analogs and methods for inhibition of monoamine transport ORGANIX INC (US) 2009-11-25 EP claimed
US-4889553-A Herbicides SCHERING AGROCHEMICALS (GB) 1989-12-26 US claimed
EP-0246749-A2 Triazole herbicides AgrEvo UK Limited (GB) 1987-11-25 EP claimed
CN-101720437-A methods, compositions and uses thereof RENASCI DEVELOPMENTS LTD 2010-06-02 CN disclosed
CN-1091100-C N-arylsulfilimine compounds and their use as catalysts for the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 2002-09-18 CN disclosed
US-6114580-A N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 2000-09-05 US disclosed
EP-0888297-B1 N-ARYLSULFILIMINE COMPOUNDS AND THEIR USE AS CATALYSTS IN THE PREPARATION OF N-ARYLARYLSULFONAMIDE COMPOUNDS DOW AGROSCIENCES LLC (US) 2000-08-30 EP disclosed
US-5973148-A N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 1999-10-26 US disclosed
CN-1216040-A N-arylsulfilimine compounds and their use as catalysts in preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 1999-05-05 CN disclosed
EP-0888297-A1 N-ARYLSULFILIMINE COMPOUNDS AND THEIR USE AS CATALYSTS IN THE PREPARATION OF N-ARYLARYLSULFONAMIDE COMPOUNDS Dow AgroSciences LLC (US) 1999-01-07 EP disclosed
WO-1998021178-A1 N-ARYLSULFILIMINE COMPOUNDS AND THEIR USE AS CATALYSTS IN THE PREPARATION OF N-ARYLARYLSULFONAMIDE COMPOUNDS DOW AGROSCIENCES LLC (US) 1998-05-22 WO disclosed
US-5389642-A Exhibit antagonistic properties toward angiotensin(II); useful for treatment of hypertensioni, aldosteronism, cardiac insufficiency, increased intraocular pressure and disorders of the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
CN-1094044-A Imidazopyridine MERCK PATENT GMBH (DE) 1994-10-26 CN disclosed
EP-0602521-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-06-22 EP disclosed
US-4889553-A Herbicides SCHERING AGROCHEMICALS (GB) 1989-12-26 US disclosed
EP-0246749-A2 Triazole herbicides AgrEvo UK Limited (GB) 1987-11-25 EP disclosed