SCHEMBL7752375

SCHEMBL7752375

CC(=O)c1cccc(C(C)=O)n1.CC1C=CC=C(Cl)C1=N.CC1C=CC=C(Cl)C1=N.[Co]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
LMNA P02545 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
Hydrochloric Acid SCHEMBL1070862 0.96 KDM4E (0.34) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL1070626 0.96 KDM4E (0.34) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL1071561 0.83 KDM4E (0.34) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL1078463 0.83 KDM4E (0.34) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL933207 0.82 CYP1A2 (0.33) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL1079384 0.81 ALDH1A1 (0.35) KDM4EALOX15TSHRACMSDTDP1
Bromide SCHEMBL933202 0.81 CYP1A2 (0.33) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL2047916 0.74 ALDH1A1 (0.33) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL8468728 0.71 ALDH1A1 (0.30) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL455687 0.70 KDM4E (0.59) KDM4EALOX15TSHRACMSDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066229-A1 OLIGOMERIZATION OF PROPYLENE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-01-10 EP disclosed
WO-1999051550-A1 OLIGOMERIZATION OF PROPYLENE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-14 WO disclosed
EP-0946609-A1 POLYMERIZATION OF ETHYLENE WITH SPECIFIC IRON OR COBALT COMPLEXES, NOVEL PYRIDINEBIS(IMINES) AND NOVEL COMPLEXES OF PYRIDINEBIS(IMINES) WITH IRON AND COBALT E.I. DUPONT DE NEMOURS AND COMPANY (US) 1999-10-06 EP disclosed
US-5955555-A CATALYTIC POLYMERIZATION OF ETHYLENE IN PRESENCE OF AN IRON OR COBALT COMPLEXES OF SELECTED 2,6-PYRIDINECARBOXALDEHYDEBIS(IMINES) AND 2,6-DIACYLPYRIDINEBIS(IMINES); USE AS MOLDING MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-21 US disclosed
WO-1998027124-A1 POLYMERIZATION OF ETHYLENE WITH SPECIFIC IRON OR COBALT COMPLEXES, NOVEL PYRIDINEBIS(IMINES) AND NOVEL COMPLEXES OF PYRIDINEBIS(IMINES) WITH IRON AND COBALT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-25 WO disclosed