SCHEMBL29356172

SCHEMBL29356172

Cn1c(-c2ccc(Cc3ccc(F)cc3)cn2)c(C(N)=O)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GRM2 Q14416 8/20 0.36
KCNH2 Q12809 1/20 0.36
FYN P06241 1/20 0.35
GRK5 P34947 1/20 0.35
RPS6KB1 P23443 2/20 0.35
AKT1 P31749 1/20 0.35
TGFBR1 P36897 3/20 0.34
TGFBR2 P37173 2/20 0.34
JAK3 P52333 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 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
SCHEMBL29356944 0.91 GPR52 (0.37) CYP11B1CYP11B2GRM2RPS6KB1
SCHEMBL29353790 0.89 TSHR (0.40) CYP11B1CYP11B2GRM2KDM4E
SCHEMBL29356847 0.88 GPR52 (0.41) CYP11B1CYP11B2RPS6KB1AKT1JAK3
SCHEMBL29356769 0.88 GPR52 (0.40) CYP11B1CYP11B2GRM2FYNRPS6KB1
SCHEMBL29358585 0.85 GPR52 (0.42) CYP11B1CYP11B2GRM2RPS6KB1TGFBR1
SCHEMBL29357135 0.85 GPR52 (0.44) CYP11B1CYP11B2GRM2RPS6KB1
SCHEMBL29353893 0.84 GPR52 (0.44) CYP11B1CYP11B2GRM2
SCHEMBL29355501 0.82 GPR52 (0.41) CYP11B1CYP11B2RPS6KB1AKT1JAK3
SCHEMBL29357168 0.80 CYP11B2 (0.34) CYP11B1CYP11B2GRM2KCNH2
SCHEMBL29355532 0.79 IDH1 (0.41) CYP11B1CYP11B2JAK3

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-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed