SCHEMBL8647752

SCHEMBL8647752

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
PTPN1 P18031 2/20 0.38
RXRA P19793 3/20 0.37
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37
MAPT P10636 6/20 0.35
HTT P42858 1/20 0.35
AOC2 O75106 1/20 0.35
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOB P27338 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL8646479 0.91 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8322609 0.90 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8651582 0.89 PTPN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7602827 0.87 MAPT (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8651662 0.86 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8645498 0.85 ELANE (0.40) RXRANR1H2NR1H3MAPTMEN1
SCHEMBL6140552 0.84 MAPT (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6140151 0.84 MAPT (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6140474 0.84 PTPN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6140187 0.84 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-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed