SCHEMBL153227

SCHEMBL153227

CN(Cc1ccccc1)c1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
NTRK1 P04629 1/20 0.48
NTRK3 Q16288 1/20 0.48
NTRK2 Q16620 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
TMEM97 Q5BJF2 1/20 0.48
MAOB P27338 3/20 0.47
AOC3 Q16853 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
SNCA P37840 1/20 0.47
MAOA P21397 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.45

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
SCHEMBL6794125 0.87 MAOB (0.68) MAOBNR3C1PGR
SCHEMBL11881187 0.84 NR1H2 (0.62) MEN1NPC1KMT2ACRHBPCRHR2
SCHEMBL6798025 0.83 CYP19A1 (0.57) CRHBPCRHR2PTGDR2POLB
SCHEMBL28745886 0.83 LOXL2 (0.44) CRHBPCRHR2ALDH1A1PTGDR2POLB
SCHEMBL7039840 0.81 SIGMAR1 (0.57) MEN1NPC1KMT2ACRHBPCRHR2
SCHEMBL150285 0.81 CYP2C19 (0.58) MEN1NPC1KMT2ACRHBPCRHR2
Nitrogen SCHEMBL4600396 0.81 CRHBP (0.58) NPC1CRHBPCRHR2NR1H2NR1H3
SCHEMBL642317 0.80 CRHBP (0.61) NPC1CRHBPCRHR2NR1H2NR1H3
SCHEMBL5992560 0.80 MEN1 (0.53) MEN1NPC1KMT2ACRHBPCRHR2
SCHEMBL151082 0.79 TSHR (0.68) MEN1NPC1KMT2ACRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350180-A Industrial preparation method and application of high-purity alpha-aminonitrile 哈尔滨理工大学 2025-01-24 CN claimed
CN-119350180-A Industrial preparation method and application of high-purity alpha-aminonitrile 哈尔滨理工大学 2025-01-24 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