SCHEMBL5087054

SCHEMBL5087054

Cn1c2c(c3ccccc31)[CH]C=C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.50
▸ ALKBH5 Q6P6C2 1/20 0.39
▸ FTO Q9C0B1 1/20 0.39
▸ KDM4E B2RXH2 6/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ ERCC1 P07992 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ ERCC4 Q92889 1/20 0.37
▸ HSD17B10 Q99714 5/20 0.37
▸ GAA P10253 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ GALK1 P51570 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ SAE1 Q9UBE0 1/20 0.37
▸ UBA2 Q9UBT2 1/20 0.37
▸ HPGD P15428 4/20 0.36

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
SCHEMBL21912939 0.74 GPR3 (0.47) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL23505087 0.73 GPR3 (0.45) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL21912831 0.70 GPR3 (0.42) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL24531884 0.70 GPR3 (0.42) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL22298378 0.69 GPR3 (0.45) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL21101526 0.69 GPR3 (0.45) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL29321 0.69 GPR3 (1.00) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL29461528 0.69 GPR3 (1.00) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL20208758 0.68 GPR3 (0.40) GPR3ALKBH5FTOKDM4EMAPT
SCHEMBL24531885 0.67 GPR3 (0.39) GPR3ALKBH5FTOKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960442-A1 HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2008-08-27 — — EP disclosed
EP-1833859-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-09-19 — — EP disclosed
WO-2007070046-A1 HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-06-21 — — WO disclosed
WO-2006065843-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 — — WO disclosed
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