SCHEMBL29950797

SCHEMBL29950797

COc1cccc(C(C#N)S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL7937534 0.88 MAPT (0.45) MAPTTP53MEN1KMT2ACHRM2
SCHEMBL17446980 0.83 ALDH1A1 (0.51) MAPTMEN1KMT2AKDM4EFFAR4
SCHEMBL2176940 0.83 MAPT (0.43) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL21926455 0.82 MAPT (0.48) MAPTTP53CHRM2CHRM1CHRM3
SCHEMBL20911522 0.81 MEN1 (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5776454 0.79 MEN1 (0.51) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL20272734 0.78 MAPT (0.42) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL1307531 0.78 MAPT (0.46) MAPTTP53CHRM2CHRM1CHRM3
SCHEMBL22730465 0.77 MEN1 (0.48) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL17446871 0.77 MEN1 (0.43) MAPTMEN1KMT2AKDM4EALDH1A1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed