SCHEMBL150969

SCHEMBL150969

C[Si]1(C)CC[Si](C)(C)N1c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.42
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HRH3 Q9Y5N1 6/20 0.41
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
ELANE P08246 1/20 0.39
KCNH2 Q12809 2/20 0.38
CHEK1 O14757 1/20 0.38
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
NOTUM Q6P988 1/20 0.37
RAB9A P51151 1/20 0.36
LOXL2 Q9Y4K0 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
SCHEMBL148357 0.78 DRD2 (0.50) KDM4EALDH1A1NOTUM
SCHEMBL148400 0.74 KDM4E (0.42) KDM4ETP53POLBCYP2A6ALDH1A1
SCHEMBL152184 0.72 CYP19A1 (0.47) CYP2A6KCNH2LOXL2KCNJ1
SCHEMBL151261 0.68 CHEK1 (0.68) KDM4ETP53ALDH1A1HRH3CHRNA10
SCHEMBL2384959 0.67 KDM4E (0.80) KDM4ETP53POLBCYP2A6ALDH1A1
SCHEMBL2503454 0.66 CA2 (0.69) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL45942 0.66 CA2 (0.69) CYP2A6ALDH1A1CA12CA2CA3
Water SCHEMBL28254092 0.66 CA2 (0.69) CYP2A6ALDH1A1CA12CA2CA3
Water SCHEMBL28189314 0.66 CA2 (0.69) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL151276 0.65 KDM4E (0.42) KDM4ENOTUM

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-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-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