SCHEMBL7103348

SCHEMBL7103348

Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2ccc(CN3C(=O)c4ccccc4C3=O)cc12.O=S(=O)(O)F.O=S(=O)(O)F.O=S(=O)([O-])F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 1/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7099955 0.96 MAPT (0.35) MAPTKMT2ALMNANPC1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL7098580 0.94 ACHE (0.37) MAPTKMT2ALMNANPC1ALDH1A1
SCHEMBL7531533 0.83 MAPT (0.37) MAPTKMT2ALMNANPC1ALDH1A1
SCHEMBL8909050 0.80 MAPT (0.39) MAPTKMT2ALMNANPC1ALDH1A1
SCHEMBL8046796 0.80 KMT2A (0.44) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL7538206 0.80 NPC1 (0.37) MAPTKMT2ANPC1TP53CA1
Trifluoromethanesulfonic Acid SCHEMBL4197431 0.80 LMNA (0.36) MAPTKMT2ALMNANPC1ALDH1A1
SCHEMBL7103169 0.79 KMT2A (0.40) MAPTKMT2ALMNANPC1ALDH1A1
Bromide SCHEMBL7103303 0.79 KMT2A (0.43) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL13979971 0.79 LMNA (0.43) MAPTKMT2ALMNANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988551-B1 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS BAYER AG (US) 2003-09-10 EP disclosed
US-6165800-A Chemiluminescent energy transfer conjugates and their uses as labels in binding assays BAYER CORPORATION (US) 2000-12-26 US disclosed