SCHEMBL150390

SCHEMBL150390

C#CCC(CC#N)N(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MLYCD O95822 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 6/20 0.32
LMNA P02545 1/20 0.31
KCNA3 P22001 1/20 0.31
KCNN4 O15554 1/20 0.31
KCNA5 P22460 1/20 0.31
TSHR P16473 2/20 0.31
TRPA1 O75762 1/20 0.31
MAOA P21397 3/20 0.30
CYP1A2 P05177 2/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1A P35348 1/20 0.30
SNCA P37840 1/20 0.30
OPRK1 P41145 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
SCHEMBL151516 0.83 MAOB (0.36) PBRM1ALDH1A1USP2MAOBLMNA
SCHEMBL148903 0.80 MAPT (0.36) PBRM1ALDH1A1MAOBTSHRMAOA
SCHEMBL27855233 0.80 PBRM1 (0.38) PBRM1ALDH1A1MAOBLMNATSHR
SCHEMBL151707 0.76 TSHR (0.37) PBRM1ALDH1A1USP2HSD17B10MAOB
SCHEMBL151523 0.76 SMN1; SMN2 (0.38) PBRM1ALDH1A1HSD17B10MAOBLMNA
SCHEMBL153575 0.76 TSHR (0.44) ALDH1A1USP2MAOBLMNATSHR
SCHEMBL150754 0.73 MAOB (0.47) ALDH1A1USP2MAOBLMNATSHR
SCHEMBL23080171 0.72 SLC6A2 (0.35) PBRM1ALDH1A1MAOBLMNATSHR
SCHEMBL27895196 0.69 KCNA3 (0.35) ALDH1A1MLYCDUSP2HSD17B10MAOB
SCHEMBL151863 0.68 PBRM1 (0.34) PBRM1ALDH1A1MAOBLMNAKCNA3

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 9 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
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO disclosed