SCHEMBL16620443

SCHEMBL16620443

Cc1ccc(N=C2CCC(C#N)CC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP2A6 P11509 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16620467 0.90 ALDH1A1 (0.31) ALDH1A1CYP2A6HPGD
SCHEMBL16620468 0.90 ALDH1A1 (0.31) ALDH1A1CYP2A6HPGD
SCHEMBL17985127 0.82 KDM4E (0.34) ALDH1A1
SCHEMBL16620217 0.81 MAOB (0.30)
SCHEMBL16620267 0.81 SMN1; SMN2 (0.38) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL16620215 0.81 MAOB (0.30)
SCHEMBL8743938 0.78 MAOB (0.41) ALDH1A1HPGDNPC1LMNAMAPT
SCHEMBL8743913 0.77 HPGD (0.34) ALDH1A1HPGDNPC1LMNAMAPT
SCHEMBL8743966 0.74 ALDH1A1 (0.33) ALDH1A1HPGDNPC1LMNAMAPT
SCHEMBL8743979 0.74 ALOX5 (0.37) ALDH1A1HPGDNPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066486-B2 Polymers functionalized with imine compounds containing a cyano group BRIDGESTONE CORPORATION (JP) 2021-07-20 US disclosed
US-20200157253-A1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2020-05-21 US disclosed
US-10590208-B2 Polymers functionalized with imine compounds containing a cyano group BRIDGESTONE CORPORATION (JP) 2020-03-17 US disclosed
US-20160237179-A1 Polymers Functionalized With Imine Compounds Containing A Cyano Group BRIDGESTONE CORPORATION (JP) 2016-08-18 US disclosed
EP-3052531-A1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP Bridgestone Corporation (JP) 2016-08-10 EP disclosed
WO-2015050947-A1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2015-04-09 WO disclosed