SCHEMBL8967363

SCHEMBL8967363

Cc1cccc([SiH](F)F)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
ATM Q13315 1/20 0.42
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 3/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MAPT P10636 2/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
CD44 P16070 1/20 0.32
HTR2C P28335 2/20 0.31
ADRB1 P08588 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL4274258 0.79 TSHR (0.47) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL29776884 0.77 TRPA1 (0.44) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL9363776 0.77 TRPA1 (0.44) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL8967432 0.75 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL31310605 0.75 TRPA1 (0.48) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL9147737 0.75 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL2079047 0.75 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL7604923 0.75 TRPA1 (0.48) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL8755390 0.73 TRPA1 (0.41) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL3298394 0.73 TRPA1 (0.41) TRPA1ATMCYP2A6CYP1A2TSHR

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-0514034-B1 Silane products from reaction of solid silicon monoxide with aromatic halides DOW CORNING (US) 1996-02-28 EP disclosed
EP-0514034-A1 Silane products from reaction of solid silicon monoxide with aromatic halides DOW CORNING CORPORATION (US) 1992-11-19 EP disclosed
US-5120520-A In presence of metal or metal-contianing catalyst DOW CORNING CORPORATION (US) 1992-06-09 US disclosed