SCHEMBL16620449

SCHEMBL16620449

CC(C#N)CCCN=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.41
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 6/20 0.35
CA9 Q16790 5/20 0.35
CA1 P00915 1/20 0.35
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 4/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 3/20 0.33
HPGD P15428 2/20 0.33
NOX1 Q9Y5S8 1/20 0.33
MET P08581 1/20 0.32
MAPT P10636 1/20 0.31
ALOX12 P18054 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
SCHEMBL17985136 1.00 CA2 (0.41) CA2TAAR1TSHRCA12CA9
SCHEMBL21957535 0.86 SMN1; SMN2 (0.39) CA2TSHRCA12CA9CA1
SCHEMBL21957534 0.86 SMN1; SMN2 (0.39) CA2TSHRCA12CA9CA1
SCHEMBL21957547 0.84 NPC1 (0.45) TSHRLMNAALDH1A1KMT2ARAB9A
SCHEMBL21957549 0.84 NPC1 (0.45) TSHRLMNAALDH1A1KMT2ARAB9A
SCHEMBL31019015 0.84 NPC1 (0.45) TSHRLMNAALDH1A1KMT2ARAB9A
SCHEMBL21957558 0.81 CA12 (0.41) CA2TSHRCA12CA9LMNA
SCHEMBL21957557 0.81 CA12 (0.41) CA2TSHRCA12CA9LMNA
SCHEMBL17985135 0.80 MEN1 (0.39) CA2TAAR1CA1LMNAL3MBTL1
SCHEMBL16620283 0.80 MEN1 (0.39) CA2TAAR1CA1LMNAL3MBTL1

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