SCHEMBL6254465

SCHEMBL6254465

Cc1cccc(C)c1OC(=O)c1c2ccccc2[n+](C)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ACHE P22303 9/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 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
SCHEMBL3907421 0.91 L3MBTL1 (0.36) L3MBTL1SMN1; SMN2ACHEKMT2AMEN1
Trifluoromethanesulfonic Acid SCHEMBL6256435 0.88 KCNH2 (0.39) L3MBTL1SMN1; SMN2ACHEKMT2AMEN1
SCHEMBL38662476 0.88 SMN1; SMN2 (0.36) L3MBTL1SMN1; SMN2ACHEKMT2AMEN1
SCHEMBL12907529 0.85 TTR (0.38) L3MBTL1SMN1; SMN2ACHEKMT2AKDM4E
SCHEMBL3901332 0.84 MAPT (0.36) L3MBTL1ACHEKMT2AKDM4EHSD17B10
Bromide SCHEMBL8908965 0.84 TTR (0.37) L3MBTL1SMN1; SMN2ACHEKMT2AKDM4E
SCHEMBL17898189 0.84 PPARA (0.45) ACHEKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL7596214 0.84 KMT2A (0.41) ACHEKMT2A
Trifluoromethanesulfonic Acid SCHEMBL38661855 0.80 KCNH2 (0.36) ACHE
Trifluoromethanesulfonic Acid SCHEMBL38664715 0.80 KCNH2 (0.34) ACHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611909-B1 Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-11-03 US disclosed
EP-1049933-B1 MEASUREMENT OF HYDRIDE USING CHEMILUMINESCENT ACRIDINIUM COMPOUNDS BAYER AG (US) 2005-09-14 EP disclosed
US-6673560-B1 USE IN DETECTION OF METAL HYDRIDES, ENZYME COFACTORS OR DIAGNOSTIC/MEDICAL DIAGNOSTIC ASSAYS USING DEHYDROGENASES AS REAGENTS, INDICATORS, MARKERS, OR LABELS BAYER CORPORATION 2004-01-06 US disclosed