SCHEMBL2437114

SCHEMBL2437114

CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.O=S(=O)([O-])C(F)(C(F)(F)F)S(=O)(=O)O.O=S(=O)([O-])C(F)(C(F)(F)F)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD11B1 P28845 9/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
UQCRB P14927 2/20 0.33
ACHE P22303 1/20 0.33
RECQL P46063 1/20 0.32
HSD17B3 P37058 1/20 0.32
HSD17B2 P37059 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2437602 0.95 HSD11B1 (0.40) RORAALDH1A1HSD11B1MAPTUQCRB
Trifluoromethanesulfonic Acid SCHEMBL36543 0.82 ALDH1A1 (0.46) RORAALDH1A1HSD11B1MEN1MAPT
SCHEMBL2443803 0.81 PTPN1 (0.34) HSD11B1MEN1KMT2A
SCHEMBL2434949 0.81 ALDH1A1 (0.44) RORAALDH1A1HSD11B1MEN1MAPT
SCHEMBL29745790 0.81 ALDH1A1 (0.44) RORAALDH1A1HSD11B1MEN1MAPT
SCHEMBL1593144 0.79 ALDH1A1 (0.40) RORAALDH1A1HSD11B1MEN1MAPT
SCHEMBL2438153 0.78 ALDH1A1 (0.42) RORAALDH1A1HSD11B1MEN1MAPT
SCHEMBL2434693 0.78 ALDH1A1 (0.42) RORAALDH1A1HSD11B1MEN1MAPT
SCHEMBL51945 0.78 ALDH1A1 (0.39) RORAALDH1A1HSD11B1MEN1MAPT
SCHEMBL11049298 0.77 ALDH1A1 (0.50) ALDH1A1HSD11B1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078028-B1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA (US) 2011-09-07 EP claimed