SCHEMBL6537168

SCHEMBL6537168

CCCCCCCCc1ccccc1S(=O)(=O)[O-].CN(C)c1cccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)c1.CN(C)c1cccc([S+](c2ccc(OCC(=O)OC(C)(C)C)cc2)c2cccc(N(C)C)c2)c1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.40
PSEN2 P49810 5/20 0.40
APH1B Q8WW43 5/20 0.40
NCSTN Q92542 5/20 0.40
APH1A Q96BI3 5/20 0.40
PSENEN Q9NZ42 5/20 0.40
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PLA2G4A P47712 1/20 0.32
TSHR P16473 1/20 0.32
PLA2G4B P0C869 3/20 0.32
CTSK P43235 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
ABCB1 P08183 1/20 0.30

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
SCHEMBL6140539 0.94 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6140106 0.87 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3201051 0.86 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6140163 0.86 PTPN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6140601 0.86 PTPN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6140874 0.81 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6140234 0.81 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2895614 0.81 LIPG (0.36) ALDH1A1PPARGPPARA
SCHEMBL6140427 0.79 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6140474 0.79 PTPN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-6825060-B1 Photosensitive polymeric memory elements ADVANCED MICRO DEVICES, INC. 2004-11-30 US disclosed