SCHEMBL535833

SCHEMBL535833

C1=CC(c2ccccc2)=C[C]1c1cccc2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
TSHR P16473 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MMP2 P08253 2/20 0.46
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MMP9 P14780 1/20 0.46
NFKB1 P19838 1/20 0.46
MMP8 P22894 1/20 0.46
CCR1 P32246 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL5597527 0.87 LMNA (0.42) KDM4ETSHRMAPTHTTLMNA
SCHEMBL4148271 0.79 MMP2 (0.60) KDM4ETSHRMAPTHTTLMNA
SCHEMBL27816291 0.78 MMP2 (0.58) KDM4ETSHRMAPTHTTLMNA
SCHEMBL12074320 0.76 MMP2 (0.56) KDM4ETSHRMAPTHTTLMNA
SCHEMBL30592746 0.76 MMP2 (0.56) KDM4ETSHRMAPTHTTLMNA
Water SCHEMBL28036087 0.76 MMP2 (0.56) KDM4ETSHRMAPTHTTLMNA
Phenanthroline SCHEMBL9275301 0.73 LMNA (0.76) KDM4ETSHRMAPTHTTLMNA
SCHEMBL12853981 0.73 LMNA (0.68) KDM4ETSHRMAPTHTTLMNA
SCHEMBL1282008 0.73 CCR1 (0.75) KDM4ETSHRMAPTHTTLMNA
SCHEMBL30184687 0.73 CCR1 (0.75) KDM4ETSHRMAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414405-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF ALPHA-OLEFINS Basell Polyolefine GmbH (DE) 2012-02-08 EP disclosed
WO-2010112165-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF ALPHA-OLEFINS BASELL POLYOLEFINE GMBH (DE) 2010-10-07 WO disclosed