SCHEMBL4060780

SCHEMBL4060780

CCCCCCCCCCCCCCc1nccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
HTT P42858 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DHFR P00374 1/20 0.42

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
SCHEMBL1412711 1.00 CYP2A6 (0.46) CYP2A6TDP1L3MBTL1KCNH2LMNA
SCHEMBL4764703 1.00 CYP2A6 (0.46) CYP2A6TDP1L3MBTL1KCNH2LMNA
SCHEMBL915010 1.00 CYP2A6 (0.46) CYP2A6TDP1L3MBTL1KCNH2LMNA
SCHEMBL4058130 1.00 CYP2A6 (0.46) CYP2A6TDP1L3MBTL1KCNH2LMNA
SCHEMBL1067311 1.00 CYP2A6 (0.46) CYP2A6TDP1L3MBTL1KCNH2LMNA
SCHEMBL6114928 1.00 CYP2A6 (0.46) CYP2A6TDP1L3MBTL1KCNH2LMNA
SCHEMBL6114275 1.00 CYP2A6 (0.46) CYP2A6TDP1L3MBTL1KCNH2LMNA
SCHEMBL4062603 1.00 CYP2A6 (0.46) CYP2A6TDP1L3MBTL1KCNH2LMNA
SCHEMBL3905155 1.00 CYP2A6 (0.46) CYP2A6TDP1L3MBTL1KCNH2LMNA
Bromide SCHEMBL25252655 0.98 CYP2A6 (0.44) CYP2A6TDP1L3MBTL1KCNH2LMNA

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
CN-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 CN claimed
CN-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 CN disclosed
WO-2009040107-A2 METHOD FOR THE PRODUCTION OF METAL-CONTAINING NANOPARTICLES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 WO disclosed
WO-2009024312-A2 METHOD FOR THE PRODUCTION AND STABILIZATION OF FUNCTIONAL METAL NANOPARTICLES IN IONIC LIQUIDS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-02-26 WO disclosed