SCHEMBL20095491

SCHEMBL20095491

COc1ccc(CN(c2nccs2)S(=O)(=O)c2cc(Cl)c(N)cc2F)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN1A P35498 10/20 0.35
SCN5A Q14524 9/20 0.35
SCN8A Q9UQD0 9/20 0.35
SCN9A Q15858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
EIF2AK3 Q9NZJ5 1/20 0.33
NR1I2 O75469 1/20 0.33
SCN1B Q07699 1/20 0.33

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
SCHEMBL16094553 0.92 MEN1 (0.38) TP53MEN1KMT2ASCN1ASCN5A
SCHEMBL20238943 0.90 MEN1 (0.36) MEN1KMT2ASCN1ASCN5ASCN8A
SCHEMBL29668680 0.90 MEN1 (0.36) MEN1KMT2ASCN1ASCN5ASCN8A
SCHEMBL16771614 0.88 MEN1 (0.38) TP53MEN1KMT2ASCN1ASCN5A
SCHEMBL29668807 0.88 KDM4E (0.42) TP53MEN1KMT2ASCN1ASCN9A
SCHEMBL29669070 0.88 MEN1 (0.40) TP53MEN1KMT2ASCN1ASCN9A
SCHEMBL15466024 0.88 MEN1 (0.40) TP53MEN1KMT2ASCN1ASCN9A
SCHEMBL20073007 0.88 SCN1A (0.38) SCN1ASCN5ASCN8ASCN9AKDM4E
SCHEMBL16757120 0.87 MEN1 (0.37) MEN1KMT2ASCN1ASCN5ASCN8A
SCHEMBL28548900 0.86 SCN9A (0.39) TP53MEN1KMT2ASCN9AKDM4E

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
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed