SCHEMBL2565075

SCHEMBL2565075

CC(C#N)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 6/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
SLC6A2 P23975 2/20 0.44
HTR2A P28223 2/20 0.44
ADRA1A P35348 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 2/20 0.44
SLC6A4 P31645 1/20 0.44
OPRK1 P41145 1/20 0.44
MAOB P27338 3/20 0.43
AOC3 Q16853 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL3246687 0.85 KMT2A (0.44) ALDH1A1TSHRKMT2ANPSR1GAA
Hydrochloric Acid SCHEMBL3235384 0.84 KMT2A (0.43) ALDH1A1TSHRKMT2ANPSR1GAA
SCHEMBL10932143 0.79 ALDH1A1 (0.46) ALDH1A1TSHRKMT2ASIGMAR1ADRA2B
SCHEMBL27171240 0.78 MEN1 (0.56) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL22370929 0.78 MEN1 (0.56) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL17275467 0.78 TSHR (0.45) ALDH1A1TSHRKMT2ANPSR1GAA
SCHEMBL28623788 0.78 TSHR (0.45) ALDH1A1TSHRKMT2ANPSR1GAA
SCHEMBL347257 0.78 MEN1 (0.56) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL2229625 0.77 TSHR (0.47) ALDH1A1TSHRKMT2ANPSR1GAA
SCHEMBL31258894 0.77 ALDH1A1 (0.47) ALDH1A1TSHRKMT2ANPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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