SCHEMBL29989

SCHEMBL29989

CCC1CCC(c2ccc(C#N)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.38
ALDH1A1 P00352 2/20 0.35
FASN P49327 1/20 0.35
CHEK1 O14757 5/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PANK3 Q9H999 3/20 0.34
DGKA P23743 1/20 0.34
DGKZ Q13574 1/20 0.34
S1PR1 P21453 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CYP2C9 P11712 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
SCHEMBL2860558 0.87 KDM4E (0.39) ACACBALDH1A1FASNCHEK1PANK3
SCHEMBL10000790 0.85 MAPT (0.39) ACACBALDH1A1LMNAMAPTCYP2C9
SCHEMBL16349362 0.84 MAPT (0.40) ACACBALDH1A1LMNAMAPTCYP2C9
SCHEMBL18721893 0.83 ESR2 (0.44) ACACBFASNCHEK1PANK3CYP2C9
SCHEMBL3223221 0.81 ACACB (0.38) ACACBFASNCHEK1S1PR1CYP2C9
SCHEMBL3223232 0.81 ACACB (0.38) ACACBFASNCHEK1S1PR1CYP2C9
SCHEMBL11074134 0.81 CTSK (0.37) ALDH1A1MAPTJAK2JAK1TYK2
SCHEMBL11074130 0.81 CTSK (0.37) ALDH1A1MAPTJAK2JAK1TYK2
SCHEMBL22047801 0.80 CHEK1 (0.40) ACACBFASNCHEK1
SCHEMBL14045979 0.79 KDM4E (0.50) FASNCHEK1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
EP-2609172-B1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-07 EP disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
EP-2423294-A1 Switch element comprising a liquid-crystalline medium Merck Patent GmbH (DE) 2012-02-29 EP disclosed