SCHEMBL6905058

SCHEMBL6905058

C[Si](C)(n1ncc2ccccc21)n1ncc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.44
ELANE P08246 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMO O15229 1/20 0.40
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.37

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
SCHEMBL10428606 0.87 RECQL (0.44) RECQLELANECYP1A2KMORAB9A
SCHEMBL47226 0.73 CYP1A2 (0.47) RECQLELANECYP1A2KMORAB9A
SCHEMBL29487677 0.73 CYP1A2 (0.47) RECQLELANECYP1A2KMORAB9A
Fluoride SCHEMBL31655450 0.71 CYP1A2 (0.46) RECQLELANECYP1A2KMORAB9A
SCHEMBL276288 0.70 RECQL (0.48) RECQLELANECYP1A2KMORAB9A
SCHEMBL12915266 0.69 RECQL (0.41) RECQLELANECYP1A2KMORAB9A
SCHEMBL329140 0.68 RECQL (0.47) RECQLELANECYP1A2KMORAB9A
SCHEMBL315321 0.68 RECQL (0.47) RECQLELANECYP1A2KMORAB9A
SCHEMBL13647386 0.68 RECQL (0.47) RECQLELANECYP1A2KMORAB9A
Water SCHEMBL2123597 0.68 CYP1A2 (0.47) RECQLELANECYP1A2KMORAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244517-A4 POLYMERIZATION SYSTEM WITH ORGANOSILICON COMPOUND EQUISTAR CHEM LP (US) 2004-06-30 EP disclosed
EP-1165568-A4 METAL COMPOUNDS CONTAINING NEUTRAL, MULTIDENTATE AZACYCLIC LIGANDS, CATALYSTS USING THEM, OLEFIN POLYMERIZATION METHODS USING THEM EQUISTAR CHEM LP (US) 2002-10-16 EP disclosed
EP-1244517-A1 POLYMERIZATION SYSTEM WITH ORGANOSILICON COMPOUND Equistar Chemicals L.P. (US) 2002-10-02 EP disclosed
US-6384229-B1 SILICON, TIN, GERMANIUM, OR LEAD; PYRAZOLYL, TRIAZOLYL, OR TETRAAZOLYL RING LIGAND; CATALYSTS FOR OLEFIN POLYMERIZATION EQUISTAR CHEMICALS, L.P. 2002-05-07 US disclosed
EP-1165568-A1 METAL COMPOUNDS CONTAINING NEUTRAL, MULTIDENTATE AZACYCLIC LIGANDS, CATALYSTS USING THEM, OLEFIN POLYMERIZATION METHODS USING THEM Equistar Chemicals L.P. (US) 2002-01-02 EP disclosed
WO-2001023084-A1 POLYMERIZATION SYSTEM WITH ORGANOSILICON COMPOUND EQUISTAR CHEMICALS, L.P. (US) 2001-04-05 WO disclosed
US-6180552-B1 OLEFIN POLYMERIZATION COORDINATION CATALYSTS EQUISTAR CHEMICALS, L.P. 2001-01-30 US disclosed
WO-2000059914-A1 METAL COMPOUNDS CONTAINING NEUTRAL, MULTIDENTATE AZACYCLIC LIGANDS, CATALYSTS USING THEM, OLEFIN POLYMERIZATION METHODS USING THEM EQUISTAR CHEMICALS, L.P. (US) 2000-10-12 WO disclosed
US-6093673-A USING ORGANOSILICON COMPOUND FROM PYRAZOLYL FAMILY AS EXTERNAL ADJUVANT LEADS TO INCREASED CATALYST ACTIVITY WITHOUT SACRIFICE OF STEREOREGULARITY IN POLYMERIZATION OF ALPHA OLEFINS OF THREE CARBONS OR MORE EQUISTAR CHEMICALS, LP (US) 2000-07-25 US disclosed