SCHEMBL154241

SCHEMBL154241

C=CC(CC#N)N(CC)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.36
NR1H2 P55055 4/20 0.32
NR1H3 Q13133 4/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
PBRM1 Q86U86 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL150548 0.81 MAOB (0.35) MAPTCRHBPCRHR2NPSR1TP53
SCHEMBL151863 0.80 PBRM1 (0.34) MAPTCRHBPCRHR2NPSR1TSHR
SCHEMBL151170 0.79 MAPT (0.36) MAPTCRHBPCRHR2NPSR1TP53
SCHEMBL305158 0.78 MAPT (0.35) MAPTNPSR1TP53NR1H2NR1H3
SCHEMBL153059 0.76 ALDH1A1 (0.39) MAPTCRHBPCRHR2NPSR1TP53
SCHEMBL27837302 0.76 MAPT (0.38) MAPTCRHBPCRHR2NPSR1TP53
SCHEMBL151404 0.73 MAPT (0.37) MAPTCRHBPCRHR2NPSR1TP53
SCHEMBL148903 0.72 MAPT (0.36) MAPTCRHBPCRHR2NPSR1TP53
SCHEMBL148026 0.72 ADRA2B (0.44) NPSR1TP53TSHRALDH1A1MAOB
SCHEMBL151553 0.71 ALDH1A1 (0.43) MAPTNPSR1TP53TSHRALDH1A1

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
CN-102361887-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2012-02-22 CN 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