SCHEMBL5596891

SCHEMBL5596891

CCCP(c1cc(Br)cc(Br)c1O)c1cc(Br)cc(Br)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GFER P55789 2/20 0.38
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ERN1 O75460 1/20 0.36
ALOX15 P16050 4/20 0.35
ALOX12 P18054 4/20 0.35
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL5596312 0.89 TDP1 (0.43) TDP1CYP3A4TSHRGABRA1GABRB1
SCHEMBL5596998 0.85 TDP1 (0.50) TDP1CYP3A4TSHRGABRA1GABRB1
SCHEMBL5596434 0.74 CYP3A4 (0.56) TDP1CYP3A4TSHRGABRA1GABRB1
SCHEMBL5596943 0.70 KMT2A (0.47) TDP1CYP3A4TSHRGABRA1GABRB1
SCHEMBL5596096 0.69 CYP3A4 (0.50) TDP1CYP3A4TSHRGABRA1GABRB1
SCHEMBL5596070 0.69 TDP1 (0.50) TDP1CYP3A4TSHRGABRA1GABRB1
SCHEMBL5596517 0.69 CYP3A4 (0.50) TDP1CYP3A4TSHRGABRA1GABRB1
SCHEMBL5597004 0.68 ALDH1A1 (0.41) TDP1MAPTLMNAHPGDKDM4E
SCHEMBL18224 0.67 CYP3A4 (1.00) TDP1CYP3A4TSHRGABRA1GABRB1
SCHEMBL11613709 0.66 CYP3A4 (0.56) TDP1CYP3A4TSHRGABRA1GABRB1

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-7279537-B2 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 US disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 EP disclosed