SCHEMBL9794884

SCHEMBL9794884

CCCC[Mg+2].C[Si](C)(C)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.39
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
EPHX1 P07099 3/20 0.36
HTT P42858 2/20 0.36
GAA P10253 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ICMT O60725 1/20 0.33
ALB P02768 1/20 0.33

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
SCHEMBL49520 0.79 TSHR (0.48) ALDH1A1EPHX1MAPTSMN1; SMN2HPGD
SCHEMBL17273060 0.73 TSHR (0.34) KCNH3ALDH1A1NPSR1GAAMAPT
SCHEMBL10788267 0.71 EPHX1 (0.42) KCNH3ALDH1A1NPSR1EPHX1HTT
Phenol SCHEMBL1561461 0.70 CA12 (0.50) ALDH1A1MAPTHPGDLMNAHSD17B10
SCHEMBL11097238 0.67 TSHR (0.40) ALDH1A1NPSR1GAAMAPTHPGD
SCHEMBL9850860 0.66 KMT2A (0.41) KCNH3ALDH1A1NPSR1EPHX1HTT
SCHEMBL9181403 0.65 TSHR (0.48) ALDH1A1EPHX1MAPTSMN1; SMN2HPGD
SCHEMBL717181 0.65 TSHR (0.48) ALDH1A1EPHX1HTTMAPTSMN1; SMN2
SCHEMBL10787743 0.65 TSHR (0.42) ALDH1A1NPSR1GAAMAPTHPGD
SCHEMBL10998222 0.65 TSHR (0.42) ALDH1A1NPSR1GAAMAPTHPGD

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
US-5036147-A Coordination catalyst comprising a silica support, a magnesium silylamide, an electron donor and a titanium halide; stereospecific; hydrocarbon soluble QUANTUM CHEMICAL CORPORATION (US) 1991-07-30 US disclosed
EP-0405554-A2 Propylene polymerization catalyst and method QUANTUM CHEMICAL CORPORATION (US) 1991-01-02 EP disclosed
US-4968653-A COORDINATION CATALYST MADE FROM MAGNESIUM SILYLAMIDE QUANTUM CHEMICAL CORPORATION (US) 1990-11-06 US disclosed