SCHEMBL16620283

SCHEMBL16620283

CC(C#N)CN=Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 3/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MET P08581 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
SCHEMBL17985135 1.00 MEN1 (0.39) MEN1KMT2ATAAR1LMNAL3MBTL1
SCHEMBL21957536 0.84 NPC1 (0.44) MEN1KMT2ATAAR1L3MBTL1CA2
SCHEMBL21957538 0.84 NPC1 (0.44) MEN1KMT2ATAAR1L3MBTL1CA2
SCHEMBL21957550 0.82 NPC1 (0.50) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL21957548 0.82 NPC1 (0.50) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL31019013 0.82 NPC1 (0.50) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL16620449 0.80 CA2 (0.41) MEN1KMT2ATAAR1LMNAL3MBTL1
SCHEMBL17985136 0.80 CA2 (0.41) MEN1KMT2ATAAR1LMNAL3MBTL1
SCHEMBL8415809 0.79 NPC1 (0.49) MEN1KMT2ATAAR1LMNAL3MBTL1
SCHEMBL7936118 0.79 NPC1 (0.49) MEN1KMT2ATAAR1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052531-B1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORP (JP) 2024-07-24 EP disclosed
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