SCHEMBL6914895

SCHEMBL6914895

O=C([O-])c1ccc2c(Cl)cccc2c1.O=C([O-])c1ccc2c(Cl)cccc2c1.[Cd+2]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIPK2 Q9H2X6 9/20 0.49
PTPN1 P18031 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
CSNK2A1 P68400 2/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
DOT1L Q8TEK3 1/20 0.41
TTR P02766 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL6914945 0.98 HIPK2 (0.50) HIPK2PTPN1CYP1A2CYP2A6CSNK2A1
Zinc Ion SCHEMBL6915335 0.97 HIPK2 (0.49) HIPK2PTPN1CYP1A2CYP2A6CSNK2A1
SCHEMBL6915280 0.97 HIPK2 (0.49) HIPK2PTPN1CYP1A2CYP2A6CSNK2A1
SCHEMBL6915735 0.97 HIPK2 (0.49) HIPK2PTPN1CYP1A2CYP2A6CSNK2A1
SCHEMBL6915294 0.97 HIPK2 (0.49) HIPK2PTPN1CYP1A2CYP2A6CSNK2A1
SCHEMBL6913214 0.97 HIPK2 (0.49) HIPK2PTPN1CYP1A2CYP2A6CSNK2A1
SCHEMBL6916894 0.97 HIPK2 (0.49) HIPK2PTPN1CYP1A2CYP2A6CSNK2A1
SCHEMBL5664701 0.82 PTPN1 (0.66) PTPN1CYP1A2CYP2A6CA1CA2
SCHEMBL6915287 0.81 PTPN1 (0.64) PTPN1CYP1A2CYP2A6CA1CA2
SCHEMBL6916900 0.81 PTPN1 (0.64) PTPN1CYP1A2CYP2A6CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed