SCHEMBL6680158

SCHEMBL6680158

Cc1cc(C)c(N2[C]N(C)C=C2)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SELL P14151 1/20 0.31
SELP P16109 1/20 0.31
SELE P16581 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL34511 0.87 SELL (0.36) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL6677918 0.75
SCHEMBL6681602 0.75 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL6679629 0.73 NR1I2 (0.32) POLBSMN1; SMN2
SCHEMBL6678739 0.73 DPP4 (0.35) ALDH1A1MAPTKDM4E
SCHEMBL8028616 0.70 GABRA1 (0.37) ALDH1A1POLBSMN1; SMN2
SCHEMBL6681680 0.69 ALDH1A1 (0.35) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL16341301 0.69 ALDH1A1 (0.35) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL6678521 0.68 C5AR1 (0.40) ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL283987 0.67 ALDH1A1 (0.38) HRH3ALDH1A1NPSR1POLBMAPT

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-1093475-B1 CATALYST FOR THE POLYMERISATION OF OLEFINS BOREALIS TECH OY (FI) 2004-11-17 EP disclosed
US-6613851-B1 Cyclic carbene- eta -ligand complexes for catalysis of olefin polymerization. BOREALIS TECHNOLOGY OY (FI) 2003-09-02 US disclosed
EP-1093475-A1 CATALYST FOR THE POLYMERISATION OF OLEFINS Borealis Technology Oy (FI) 2001-04-25 EP disclosed
WO-2000001739-A1 CATALYST FOR THE POLYMERISATION OF OLEFINS BOREALIS TECHNOLOGY OY (FI) 2000-01-13 WO disclosed