SCHEMBL5518564

SCHEMBL5518564

CCCOc1ccc(N=C2C=C(Cl)C(=O)C(Cl)=C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CYP2C9 P11712 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LTA4H P09960 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PLK1 P53350 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 3/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL5530250 0.89 ALDH1A1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL18605938 0.76 MAPT (0.44) CA12CA9MEN1KMT2AMAPT
SCHEMBL28964336 0.70 CYP2C9 (0.58) CA12CA1CA2CA7CA9
SCHEMBL28964335 0.70 CYP2C9 (0.58) CA12CA1CA2CA7CA9
SCHEMBL505621 0.70 TXNRD1 (0.36) CA12CA1CA2CA7CA9
1,4-Dipropoxybenzene SCHEMBL122039 0.70 LTA4H (0.67) CA12CA1CA2CA7CA9
SCHEMBL257325 0.68 MEN1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL13808346 0.68 LTA4H (0.64) CA12CA1CA2CA7CA9
SCHEMBL21699869 0.68 CYP2C9 (0.54) CA12CA1CA2CA7CA9
SCHEMBL2094423 0.68 CYP2C9 (0.54) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3928070-B2 2007-06-13 JP claimed
JP-3928071-B2 2007-06-13 JP claimed
EP-0767809-B1 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING & MFG (US) 2004-01-21 EP claimed
EP-0768860-A2 DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-04-23 EP claimed
US-5596025-A POLYSILOXANE CURABLE BY HYDROSILATION REACTION, COLOR CHANGE ON CURING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-21 US claimed
US-5583178-A ADDITION POLYMER AND A CURE INDICATING DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-10 US claimed
WO-1996000560-A2 DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-11 WO claimed
WO-1996000745-A2 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-11 WO claimed
US-6764710-B2 Light emitting markers for use with substrates SCIMED LIFE SYSTEMS, INC. 2004-07-20 US disclosed
EP-0767809-B1 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING & MFG (US) 2004-01-21 EP disclosed
EP-0768860-B1 DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE MINNESOTA MINING & MFG (US) 2003-04-23 EP disclosed
US-20030015284-A1 SATURATING WITH MIXTURE OF COPOLYMERS OF DIMETHYLSILOXANE AND POLYSTYRENE; DRAINAGE, DRYING, COATING, REMOVAL AND POLISHING; FLOWER SHAPE, TEXTURE, SIZE, AND COLOR IS RETAINED; WEAR RESISTANCE, DURABILITY BOSTON SCIENTIFIC SCIMED, INC. 2003-01-23 US disclosed
EP-0768860-A2 DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-04-23 EP disclosed
EP-0767809-A2 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-04-16 EP disclosed
US-5596025-A POLYSILOXANE CURABLE BY HYDROSILATION REACTION, COLOR CHANGE ON CURING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-21 US disclosed
US-5583178-A ADDITION POLYMER AND A CURE INDICATING DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-10 US disclosed
WO-1996000560-A2 DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-11 WO disclosed
WO-1996000745-A2 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-11 WO disclosed