SCHEMBL6847083

SCHEMBL6847083

C[Si](C)(C)C#Cc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
DRD3 P35462 2/20 0.35
CREBBP Q92793 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
SCHEMBL17223630 0.77 GRM5 (0.43) PNMTCYP1A2DRD3DRD2DRD4
SCHEMBL31441037 0.77 PNMT (0.45) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL8678488 0.77 PNMT (0.45) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL30848637 0.76 MAOA (0.47) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL1033059 0.75 TRPA1 (0.50) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL30940563 0.75 TRPA1 (0.50) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL17224542 0.75 PNMT (0.41) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL10535351 0.74 TSHR (0.45) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL32662837 0.74 PNMT (0.42) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL739760 0.74 PNMT (0.49) PNMTNPC1RAB9AKDM4EALDH1A1

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
US-6682782-B2 TRANSISTORS, LIQUID CRYSTAL DISPLAY, ELECTROOPTICS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-01-27 US disclosed
EP-1170273-B1 Alkynic compounds, their use as monomers in vacuum deposition polymerisation, thin films formed from these polymers and their use in electroluminescent devices KOREA RES INST CHEM TECH (KR) 2003-05-28 EP disclosed
US-20020018912-A1 Organic compound having an acetylene group, vacuum deposition polymerization thereof, deposited polymerized thin film, and electroluminescence device containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-02-14 US disclosed
EP-1170273-A1 Alkynic compounds, their use as monomers in vacuum deposition polymerisation, thin films formed from these polymers and their use in electroluminescent devices KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-01-09 EP disclosed