SCHEMBL8645334

SCHEMBL8645334

CN(C)c1ccc([S+](c2ccc(N(C)C)cc2)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
OPRK1 P41145 1/20 0.34
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 2/20 0.34
MAPT P10636 6/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPN1 P18031 1/20 0.33
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC6 Q9UBN7 1/20 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
SCHEMBL8318994 0.92 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8651662 0.91 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8644648 0.91 PTPN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8319103 0.88 MAPT (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8646479 0.87 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8645166 0.85 HDAC6 (0.31) HDAC6
SCHEMBL3200027 0.84 PTPN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8645071 0.83 PTPN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8323037 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8322609 0.81 PSEN1 (0.43) 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