SCHEMBL30798293

SCHEMBL30798293

Cc1c(F)ccc(C(=O)O)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.37
MAP2K1 Q02750 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ADRA2A P08913 1/20 0.36
CLCN2 P51788 1/20 0.36
EPRS1 P07814 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
CYP1A2 P05177 2/20 0.35
HIF1A Q16665 1/20 0.35
ALB P02768 1/20 0.35
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL24717809 1.00 NOTUM (0.37) NOTUMMAP2K1KDM4EADRA2ACLCN2
SCHEMBL28363838 0.80 CYP1A2 (0.52) NOTUMKDM4ECYP1A2MEN1KMT2A
SCHEMBL2080480 0.78 CES2 (0.41) NOTUMMAP2K1KDM4ETAS1R3TAS1R1
SCHEMBL14472134 0.77 CYP1A2 (0.44) NOTUMKDM4EADRA2ACLCN2EPRS1
SCHEMBL8090040 0.76 TRPV4 (0.39) KDM4ECYP1A2HIF1AUSP8USP7
SCHEMBL1192063 0.75 CES2 (0.45) NOTUMMAP2K1KDM4EADRA2ACLCN2
SCHEMBL30961765 0.74 ALB (0.55) NOTUMKDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL28331532 0.74 ALB (0.55) NOTUMKDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL3107355 0.74 NOTUM (0.40) NOTUMKDM4ECYP1A2MEN1KMT2A
SCHEMBL15285575 0.73 ALB (0.53) KDM4EADRA2ACLCN2EPRS1CYP1A2

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-4323352-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2024-02-21 EP disclosed