SCHEMBL5474707

SCHEMBL5474707

C[Si](C)(C)C#Cc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.40
IKBKB O14920 1/20 0.39
CYP1A2 P05177 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
PIM1 P11309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35

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
SCHEMBL15851389 0.86 ESR1 (0.40) CYP1A2SMN1; SMN2ALDH1A1HSD17B10CYP3A4
SCHEMBL24611468 0.86 IKBKB (0.39) PDE9AIKBKBCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL12861304 0.84 ESR1 (0.46) KDM4EESR1ESR2ALOX5ADORA2A
SCHEMBL24625676 0.82 PDE9A (0.39) PDE9AIKBKBCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL14514096 0.82 ELANE (0.39) CYP1A2SMN1; SMN2ALDH1A1HSD17B10CYP2C9
SCHEMBL656268 0.79 ELANE (0.37) CYP1A2SMN1; SMN2ALDH1A1HSD17B10CYP3A4
SCHEMBL652147 0.78 ELANE (0.41) CYP1A2SMN1; SMN2ALDH1A1HSD17B10CYP3A4
SCHEMBL1470735 0.78 ALDH1A1 (0.35) CYP1A2ALDH1A1HSD17B10CYP3A4CYP2C9
SCHEMBL29690232 0.78 ALDH1A1 (0.35) CYP1A2ALDH1A1HSD17B10CYP3A4CYP2C9
SCHEMBL36279 0.78 ESR1 (0.52) PDE9AIKBKBCYP1A2SMN1; SMN2ALDH1A1

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
US-7195829-B2 Organic element for electroluminescent devices EASTMAN KODAK COMPANY (US) 2007-03-27 US disclosed
US-20060234084-A1 OLED device with improved luminescent layer EASTMAN KODAK COMPANY 2006-10-19 US disclosed
WO-2005101914-A1 ORGANIC ELEMENT FOR ELECTROLUMINESCENT DEVICES EASTMAN KODAK COMPANY (US) 2005-10-27 WO disclosed
US-20050221119-A1 Organic element for electroluminescent devices EASTMAN KODAK COMPANY 2005-10-06 US disclosed