SCHEMBL2229782

SCHEMBL2229782

N#CC1(N(c2ccccc2)c2ccccc2)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSL P07711 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2567728 0.98 RXFP1 (0.34) HIF1AMEN1NPC1ALDH1A1RAB9A
SCHEMBL2983952 0.77 HIF1A (0.33) HIF1AMEN1NPC1ALDH1A1RAB9A
SCHEMBL8052199 0.74 ALDH1A1 (0.51) HIF1AMEN1NPC1ALDH1A1RAB9A
SCHEMBL3239387 0.72 ALDH1A1 (0.46) HIF1AALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL3241413 0.71 OPRM1 (0.50) HIF1AALDH1A1SMN1; SMN2TSHR
SCHEMBL5031067 0.70 SLC6A2 (0.38) MEN1ALDH1A1KMT2A
SCHEMBL28366111 0.67 MAOB (0.32) ALDH1A1TSHRHTT
SCHEMBL3042550 0.66 PDE4A (0.43) ALDH1A1RXFP1CYP1A2L3MBTL1
SCHEMBL28298245 0.65 OPRM1 (0.48)
SCHEMBL2565999 0.64 PDE4A (0.46) ALDH1A1RXFP1L3MBTL1

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 4 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-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO 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