SCHEMBL16620375

SCHEMBL16620375

Cc1ccccc1N=CCC(C)C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
RECQL P46063 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
MPI P34949 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 3/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 2/20 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
SCHEMBL16620373 1.00 CYP2C9 (0.45) CYP2C9MAPTALDH1A1NPC1RAB9A
SCHEMBL17985091 0.78 KMT2A (0.34) ALDH1A1KDM4EL3MBTL1TSHRGLA
SCHEMBL17985093 0.78 KMT2A (0.34) ALDH1A1KDM4EL3MBTL1TSHRGLA
SCHEMBL16620411 0.74 CYP2C9 (0.45) CYP2C9MAPTALDH1A1NPC1RAB9A
SCHEMBL16620412 0.74 CYP2C9 (0.45) CYP2C9MAPTALDH1A1NPC1RAB9A
SCHEMBL16620169 0.73 CYP2D6 (0.38) CYP2C9ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL16620171 0.73 CYP2D6 (0.38) CYP2C9ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL16620259 0.72 MAPT (0.38) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18395892 0.72 CYP2C9 (0.42) CYP2C9MAPTALDH1A1NPC1RAB9A
SCHEMBL18395890 0.72 CYP2C9 (0.42) CYP2C9MAPTALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590208-B2 Polymers functionalized with imine compounds containing a cyano group BRIDGESTONE CORPORATION (JP) 2020-03-17 US claimed
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