SCHEMBL2441405

SCHEMBL2441405

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(S(=O)(=O)[O-])S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
MAPT P10636 1/20 0.37
HSD11B1 P28845 4/20 0.36
MAOA P21397 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
SPPL2A Q8TCT8 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HSD17B3 P37058 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL2437798 0.93 ALDH1A1 (0.38) ALDH1A1MAPTHSD11B1MAOAGAA
SCHEMBL2436030 0.90 ALDH1A1 (0.41) ALDH1A1MAPTHSD11B1MAOAGAA
SCHEMBL2438863 0.86 ALDH1A1 (0.37) ALDH1A1MAPTHSD11B1MAOAACHE
SCHEMBL2437032 0.85 HSD11B1 (0.35) ALDH1A1MAPTHSD11B1MAOAACHE
SCHEMBL2442275 0.83 ALDH1A1 (0.46) ALDH1A1MAPTHSD11B1GAATDP1
Ethane SCHEMBL2436523 0.83 KDM1A (0.36) ALDH1A1MAPTHSD11B1TDP1NPC1
Methane SCHEMBL2439045 0.83 KDM1A (0.36) ALDH1A1MAPTHSD11B1TDP1NPC1
SCHEMBL2435427 0.83 HSD11B1 (0.34) ALDH1A1MAPTHSD11B1MAOAGAA
SCHEMBL2437858 0.83 HSD11B1 (0.34) ALDH1A1MAPTHSD11B1MAOAGAA
SCHEMBL2439602 0.81 KDM1A (0.34) ALDH1A1MAPTTDP1RAB9AL3MBTL1

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