SCHEMBL6985161

SCHEMBL6985161

CS(=O)(=O)c1ccccc1OC(=O)CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.40
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ACLY P53396 1/20 0.38
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
BCAT2 O15382 1/20 0.37
EED O75530 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
CYP2D6 P10635 2/20 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
SCHEMBL6535328 0.79 PTGS2 (0.52) BCAT2KMT2AKDM4ERECQLCYP1A2
SCHEMBL11199429 0.77 BCAT2 (0.40) CASRPRMT5WDR77ADRA2AADRA2B
SCHEMBL14655825 0.77 PTGS2 (0.50) BCAT2KMT2AKDM4ERECQLCYP1A2
SCHEMBL14655863 0.77 PTGS2 (0.50) BCAT2KMT2AKDM4ERECQLCYP1A2
SCHEMBL9035196 0.77 ADRA2A (0.40) CASRPRMT5WDR77ADRA2AADRA2B
SCHEMBL6984154 0.75 MAPT (0.55) CA1CA2CA9MEN1KMT2A
SCHEMBL2005161 0.75 TDP1 (0.55) KDM4ECYP1A2
SCHEMBL9879572 0.74 KMT2A (0.44) CA1CA2CA9MEN1KMT2A
Hydrochloric Acid SCHEMBL11274947 0.74 MAPT (0.54) CA1CA2CA9MEN1KMT2A
SCHEMBL15212670 0.74 L3MBTL1 (0.44) MEN1KMT2AKDM4ERECQL

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed