SCHEMBL149280

SCHEMBL149280

C[Si](C)(C)N(c1ccc(C#N)cc1)[Si](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NOTUM Q6P988 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KIF11 P52732 1/20 0.38
MMP3 P08254 1/20 0.37
ENPP2 Q13822 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36

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
SCHEMBL130127 0.80 CYP2A6 (0.44) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL129309 0.75 KCNN4 (0.42) TSHRNOTUMENPP2
SCHEMBL20961863 0.74 CYP2A6 (0.48) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL12477459 0.74 GABRA1 (0.32)
SCHEMBL60385 0.73 ALDH1A1 (0.58) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL8550513 0.73 CYP2A6 (0.52) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL150466 0.72 EGLN2 (0.36)
SCHEMBL20077129 0.72 CA2 (0.50) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL995812 0.72 CA2 (0.50) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL3432965 0.71 CYP2A6 (0.50) CYP2A6ALDH1A1CA12CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735494-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2014-05-27 US claimed
US-20130085227-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2013-04-04 US claimed
EP-2526149-B1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORP (JP) 2017-03-01 EP disclosed
US-9469710-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2016-10-18 US disclosed
US-20150148489-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2015-05-28 US disclosed
US-8735494-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2014-05-27 US disclosed
US-20130085227-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2013-04-04 US disclosed
US-8344066-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2013-01-01 US disclosed
US-20120296041-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-11-22 US disclosed
US-20120059112-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS COMTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-03-08 US disclosed
EP-2382240-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO disclosed
WO-2010085622-A9 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-12-23 WO disclosed
WO-2010085622-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed