SCHEMBL29175237

SCHEMBL29175237

CC(C)(C)OC(=O)NCCCn1cc(Br)c(F)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
DRD2 P14416 4/20 0.40
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA12 O43570 5/20 0.39
CA9 Q16790 5/20 0.39
CAMK2D Q13557 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL22759722 0.87 CPB2 (0.41) MEN1GAAKMT2ATDP1DRD2
SCHEMBL30786394 0.76 TDP1 (0.44) MEN1GAAKMT2ATDP1DRD2
SCHEMBL29357820 0.73 TDP1 (0.44) MEN1GAAKMT2ATDP1DRD2
SCHEMBL25381100 0.72 CAMK2D (0.48) MEN1GAAKMT2ATDP1DRD2
SCHEMBL21069375 0.71 STK17B (0.44) MEN1GAAKMT2ATDP1DRD2
SCHEMBL22442538 0.71 MEN1 (0.41) MEN1GAAKMT2ATDP1DRD2
SCHEMBL22442540 0.71 MEN1 (0.41) MEN1GAAKMT2ATDP1DRD2
SCHEMBL31082349 0.71 DRD2 (0.42) TDP1DRD2CA1CA2CA12
SCHEMBL28699281 0.71 CAMK2D (0.45) MEN1GAAKMT2ATDP1DRD2
SCHEMBL25344478 0.70 DYRK1A (0.40) TDP1DRD2CA1CA2CA12

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
CN-117486888-A Tricyclic compounds and uses thereof 和记黄埔医药(上海)有限公司 2024-02-02 CN disclosed