SCHEMBL16333341

SCHEMBL16333341

COC(=O)CSc1ncnc2c(C)c(Cl)sc12

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.75
ALDH1A1 P00352 4/20 0.47
RXFP1 Q9HBX9 2/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
MAP3K8 P41279 1/20 0.46
POLB P06746 2/20 0.45
PRNP P04156 1/20 0.42
MAPT P10636 2/20 0.42
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL441103 0.86 NOTUM (1.00) NOTUMMAP3K8
SCHEMBL439326 0.85 NOTUM (0.57) NOTUMALDH1A1RXFP1RAB9AKDM4E
SCHEMBL440686 0.84 NOTUM (0.56) NOTUMALDH1A1RXFP1RAB9AKDM4E
SCHEMBL16333015 0.83 NOTUM (0.65) NOTUMALDH1A1RXFP1HPGDPOLB
SCHEMBL16332835 0.83 NOTUM (0.72) NOTUMALDH1A1RXFP1HPGDPOLB
SCHEMBL16333525 0.82 NOTUM (0.75) NOTUMALDH1A1RXFP1MAP3K8POLB
SCHEMBL16333308 0.82 NOTUM (0.76) NOTUMALDH1A1RXFP1RAB9AKDM4E
SCHEMBL441076 0.82 NOTUM (0.54) NOTUMALDH1A1RXFP1RAB9AKDM4E
SCHEMBL469141 0.82 NOTUM (0.54) NOTUMALDH1A1RXFP1RAB9AKDM4E
SCHEMBL16333067 0.81 NOTUM (0.69) NOTUMALDH1A1RXFP1HPGDPOLB

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
EP-2616471-B1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed