SCHEMBL29358585

SCHEMBL29358585

Cn1c(-c2ccc(Cc3ccc(F)c(Cl)c3)cn2)c(C(N)=O)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 3/20 0.42
GRM2 Q14416 1/20 0.38
CASP1 P29466 1/20 0.37
TGFBR1 P36897 9/20 0.36
TGFBR2 P37173 7/20 0.36
PIK3CA P42336 1/20 0.35
RPS6KB1 P23443 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
BTK Q06187 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
SCHEMBL29356769 0.91 GPR52 (0.40) GPR52GRM2RPS6KB1CYP11B1CYP11B2
SCHEMBL29355483 0.89 GPR52 (0.42) GPR52GRM2CASP1TGFBR1TGFBR2
SCHEMBL29353790 0.87 TSHR (0.40) GPR52GRM2CYP11B1CYP11B2
SCHEMBL29355501 0.87 GPR52 (0.41) GPR52RPS6KB1CYP11B1CYP11B2
SCHEMBL29356944 0.85 GPR52 (0.37) GPR52GRM2RPS6KB1CYP11B1CYP11B2
SCHEMBL29356172 0.85 CYP11B1 (0.36) GRM2TGFBR1TGFBR2RPS6KB1CYP11B1
SCHEMBL29356847 0.85 GPR52 (0.41) GPR52RPS6KB1CYP11B1CYP11B2
SCHEMBL29356208 0.82 CDK8 (0.41) CASP1TGFBR1TGFBR2RPS6KB1
SCHEMBL29353808 0.82 GPR52 (0.44) GPR52CASP1RPS6KB1CYP11B1CYP11B2
SCHEMBL29357135 0.80 GPR52 (0.44) GPR52GRM2RPS6KB1CYP11B1CYP11B2

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