SCHEMBL5087078

SCHEMBL5087078

CC1=C(c2ccc(Cl)cc2)C=C[C]1c1cccc2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
CCR1 P32246 3/20 0.39
CCR5 P51681 3/20 0.39
CCR8 P51685 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MMP8 P22894 1/20 0.39
THPO P40225 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
SCHEMBL536386 0.88 CCR1 (0.42) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL16581166 0.78 MMP2 (0.54) LMNACCR1CCR5CCR8SMN1; SMN2
Hydrochloric Acid SCHEMBL819935 0.72 CCR1 (0.37) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL5597527 0.71 LMNA (0.42) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL5615462 0.69 CCR1 (0.50) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL7437210 0.69 CCR1 (0.53) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL12386952 0.69 LMNA (0.54) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL23555379 0.67 LMNA (0.52) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL30563009 0.67 CCR1 (0.52) LMNACCR1CCR5CCR8SMN1; SMN2
SCHEMBL27191397 0.67 CCR1 (0.52) LMNACCR1CCR5CCR8SMN1; SMN2

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
EP-1753794-B8 POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION BASELL POLYOLEFINE GMBH (DE) 2008-07-16 EP disclosed
EP-1753794-A1 POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION Basell Polyolefine GmbH (DE) 2007-02-21 EP disclosed
WO-2005103100-A1 POLYETHYLENE AND CATALYST COMPOSITION FOR ITS PREPARATION BASELL POLYOLEFINE GMBH (DE) 2005-11-03 WO disclosed