SCHEMBL5017364

SCHEMBL5017364

CCO[SiH](OCC)c1cccc(N)c1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
TSHR P16473 1/20 0.46
PIK3CA P42336 1/20 0.46
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.36
CD44 P16070 1/20 0.33
TP53 P04637 1/20 0.32
S1PR1 P21453 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CHEK1 O14757 1/20 0.30
CDC25B P30305 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
SCHEMBL27999141 0.82 ALDH1A1 (0.45) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL23282492 0.81 TRPA1 (0.35) CYP3A4TSHRALDH1A1CYP1A2TDP1
SCHEMBL27885889 0.77 ALDH1A1 (0.34) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL63206 0.76 ALDH1A1 (0.46) CYP3A4TSHRALDH1A1HSD17B10CYP1A2
SCHEMBL2961096 0.75 ALDH1A1 (0.33) TSHRALDH1A1TP53
SCHEMBL23282539 0.74 NPC1 (0.31) ALDH1A1HSD17B10TP53
SCHEMBL28688744 0.73 ALDH1A1 (0.50) CYP3A4TSHRALDH1A1HSD17B10CYP1A2
SCHEMBL103756 0.72 TSHR (0.38) CYP3A4TSHRALDH1A1TDP1
Ethylamine SCHEMBL28797899 0.68 CYP3A4 (0.78) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
Butane SCHEMBL10580935 0.68 CYP3A4 (0.78) CYP3A4TSHRPIK3CAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022256669-A1 FLUORINATED IONOMERS, POLYMER ELECTROLYTE MEMBRANES, FUEL CELLS, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-12-08 WO disclosed
US-9240287-B2 Immobilized heteropoly acids and the use of the same electrode stabilization and enhancement COLORADO SCHOOL OF MINES (US) 2016-01-19 US disclosed
US-20140234750-A1 IMMOBILIZED HETEROPOLY ACIDS AND THE USE OF THE SAME FOR ELECTRODE STABILIZATION AND ENHANCEMENT COLORADO SCHOOL OF MINES (US) 2014-08-21 US disclosed
US-8753997-B2 Immobilized heteropoly acids and the use of the same for electrode stabilization and enhancement COLORADO SCHOOL OF MINES (US) 2014-06-17 US disclosed
US-20080299433-A1 IMMOBILIZED HETEROPOLY ACIDS AND THE USE OF THE SAME FOR ELECTRODE STABILIZATION AND ENHANCEMENT COLORADO SCHOOL OF MINES 2008-12-04 US disclosed