SCHEMBL150904

SCHEMBL150904

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
CYP19A1 P11511 8/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP2A6 P11509 2/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 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
SCHEMBL150222 0.79 CNR1 (0.39) GSK3BNOTUM
SCHEMBL14429871 0.74 LOXL2 (0.47) LOXL2CYP19A1ALDH1A1CYP2A6KDM4E
SCHEMBL14619249 0.74 LOXL2 (0.47) LOXL2CYP19A1ALDH1A1CYP2A6KDM4E
SCHEMBL319933 0.74 LOXL2 (0.47) LOXL2CYP19A1ALDH1A1CYP2A6KDM4E
SCHEMBL26662020 0.72 EPHX2 (0.44) LOXL2CYP19A1ALDH1A1CYP2A6KDM4E
SCHEMBL20470213 0.70 LOXL2 (0.44) LOXL2CYP19A1ALDH1A1CYP2A6KDM4E
SCHEMBL678251 0.69 CYP2A6 (0.48) LOXL2CYP19A1ALDH1A1CYP2A6TSHR
SCHEMBL11897478 0.68 HPGD (0.47) ALDH1A1TSHRGRIA4CA12CA2
SCHEMBL11897627 0.68 HTT (0.33) TSHRCYP3A4CYP2C19PKMHTT
SCHEMBL7799578 0.68 CYP2A6 (0.52) LOXL2CYP19A1ALDH1A1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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