SCHEMBL536386

SCHEMBL536386

CC1=C(c2ccccc2)C=C[C]1c1cccc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.42
CCR8 P51685 4/20 0.42
CCR5 P51681 3/20 0.42
LMNA P02545 2/20 0.42
MMP2 P08253 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
MMP8 P22894 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5087078 0.88 LMNA (0.39) CCR1CCR8CCR5LMNAMMP2
SCHEMBL4148271 0.76 MMP2 (0.60) CCR1CCR8CCR5LMNAMMP2
SCHEMBL5615462 0.75 CCR1 (0.50) CCR1CCR8CCR5LMNAMMP2
SCHEMBL27816291 0.74 MMP2 (0.58) CCR1CCR8CCR5LMNAMMP2
Water SCHEMBL28036087 0.73 MMP2 (0.56) CCR1CCR8CCR5LMNAMMP2
SCHEMBL12074320 0.73 MMP2 (0.56) CCR1CCR8CCR5LMNAMMP2
SCHEMBL30592746 0.73 MMP2 (0.56) CCR1CCR8CCR5LMNAMMP2
SCHEMBL12853981 0.70 LMNA (0.68) CCR1CCR8CCR5LMNAMMP2
Phenanthroline SCHEMBL9275301 0.70 LMNA (0.76) CCR1CCR8CCR5LMNAMMP2
SCHEMBL1282008 0.70 CCR1 (0.75) CCR1CCR8CCR5LMNAMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101824111-B Polyethylene and catalyst composition for its preparation BASELL POLYOLEFINE GMBH 2012-03-07 CN disclosed
EP-2414405-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF ALPHA-OLEFINS Basell Polyolefine GmbH (DE) 2012-02-08 EP disclosed
CN-101098899-B Polyethylene and catalyst composition for its preparation BASELL POLYOLEFINE GMBH 2011-04-13 CN disclosed
WO-2010112165-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF ALPHA-OLEFINS BASELL POLYOLEFINE GMBH (DE) 2010-10-07 WO disclosed
CN-101824111-A Polyethylene and the catalyst composition that is used for its preparation BASELL POLYOLEFINE GMBH 2010-09-08 CN disclosed
CN-101098899-A Polyethylene and catalyst composition for its preparation BASELL POLYOLEFINE GMBH (DE) 2008-01-02 CN disclosed
CN-1894267-A Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2007-01-10 CN disclosed