SCHEMBL7053085

SCHEMBL7053085

CC1=CC2=C(C=CC=CC2c2cccc3ccccc23)C1[Si](C)(C)C1C(C)=CC2=C1C=CC=CC2c1cccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2A6 P11509 1/20 0.31
IDO1 P14902 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP2 O95551 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
GALK1 P51570 1/20 0.30
BLM P54132 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
SCHEMBL7054457 0.94 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3KDM1AALDH1A1
SCHEMBL7048711 0.91 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3KDM1AGSK3B
SCHEMBL7051336 0.91 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3KDM1AGSK3B
SCHEMBL7047610 0.89 SLC6A4 (0.30) SLC6A4
SCHEMBL7053640 0.88 EGFR (0.30) EGFRERBB2
SCHEMBL7056338 0.87
SCHEMBL3972470 0.74
SCHEMBL7048565 0.74 KDM1A (0.35) SLC6A4SLC6A2SLC6A3KDM1AALDH1A1
SCHEMBL3965728 0.73
SCHEMBL3061385 0.71 CYP2A6 (0.38) SLC6A4SLC6A2SLC6A3ALDH1A1CYP2A6

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-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 EP disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 EP disclosed