SCHEMBL148917

SCHEMBL148917

CN(c1ccc(C#N)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.39
EPHX1 P07099 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
EGLN2 Q96KS0 1/20 0.38
CYP19A1 P11511 2/20 0.38
CYP2A6 P11509 1/20 0.38
GRIA4 P48058 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 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
SCHEMBL4485887 0.84 HRH4 (0.44) JAK2JAK1JAK3ALDH1A1HRH3
SCHEMBL28823769 0.84 SLC6A2 (0.50) JAK2JAK1JAK3EGLN2SLC6A2
Hydrochloric Acid SCHEMBL23302664 0.83 SLC6A2 (0.49) JAK2JAK1JAK3EGLN2SLC6A2
SCHEMBL150974 0.81 MAOA (0.49) MAOAMAOBMCOLN3NPC1RAB9A
SCHEMBL11156991 0.78 ALDH1A1 (0.39) MAOAMAOBMCOLN3JAK2JAK1
SCHEMBL154345 0.78 MAOA (0.42) MAOAMAOBMCOLN3NPC1RAB9A
SCHEMBL21887535 0.78 NOS3 (0.45) JAK2JAK1JAK3HRH3CHEK2
Water SCHEMBL27733263 0.78 TRPV1 (0.38) JAK2JAK1JAK3ALDH1A1HRH3
SCHEMBL7793337 0.77 ALDH1A1 (0.44) JAK2JAK1JAK3NPC1RAB9A
SCHEMBL153776 0.77 TRPV1 (0.39) MCOLN3JAK2JAK1JAK3TRPV1

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
CN-118290303-A Process for preparing N-methyl-N-substituted-4-cyanoaniline compound 江苏省农药研究所股份有限公司 2024-07-05 CN disclosed
US-8735494-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2014-05-27 US disclosed
CN-103333275-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2013-10-02 CN disclosed
CN-102361887-B Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2013-06-26 CN 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
CN-102361887-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2012-02-22 CN 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