SCHEMBL8664473

SCHEMBL8664473

CC(C)(C)OC(=O)COc1ccc([S+](c2ccccn2)c2ccccn2)cc1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.44

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 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.44
POLB P06746 3/20 0.42
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 4/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL6140558 0.94 KDM4E (0.42) PTPN1POLBPSEN1PSEN2APH1B
SCHEMBL6140783 0.93 KDM4E (0.43) PTPN1POLBPSEN1PSEN2APH1B
SCHEMBL3190513 0.88 PTPN1 (0.49) PTPN1POLBPSEN1PSEN2APH1B
SCHEMBL6140904 0.87 POLB (0.47) PTPN1POLBPSEN1PSEN2APH1B
SCHEMBL6140696 0.87 POLB (0.47) PTPN1POLBPSEN1PSEN2APH1B
SCHEMBL6140516 0.86 RAPGEF3 (0.39) PTPN1POLBPSEN1PSEN2APH1B
SCHEMBL6139983 0.84 SMN1; SMN2 (0.44) PTPN1POLBPSEN1PSEN2APH1B
SCHEMBL6140488 0.84 PSEN1 (0.41) PTPN1POLBPSEN1PSEN2APH1B
SCHEMBL6140091 0.83 PTPN1 (0.44) PTPN1POLBPSEN1PSEN2APH1B
SCHEMBL6140690 0.83 PTPN1 (0.44) PTPN1POLBPSEN1PSEN2APH1B

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-5847218-A Sulfonium salts and chemically amplified positive resist compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-12-08 US disclosed