SCHEMBL30786394

SCHEMBL30786394

CC(C)(C)OC(=O)NCCCn1cc(F)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 7/20 0.42
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
POLB P06746 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
SCHEMBL29175236 0.78 DRD2 (0.46) TDP1GAAMEN1KMT2ADRD2
SCHEMBL19027921 0.77 CA1 (0.44) TDP1GAAMEN1KMT2ADRD2
SCHEMBL29175237 0.76 MEN1 (0.42) TDP1GAAMEN1KMT2ADRD2
SCHEMBL13712849 0.75 TDP1 (0.54) TDP1GAAMEN1KMT2ADRD2
SCHEMBL19027494 0.72 CA1 (0.46) TDP1GAAMEN1KMT2ADRD2
SCHEMBL22759722 0.72 CPB2 (0.41) TDP1GAAMEN1KMT2ADRD2
SCHEMBL29357820 0.72 TDP1 (0.44) TDP1GAAMEN1KMT2ADRD2
SCHEMBL19027486 0.72 DRD2 (0.45) TDP1GAAMEN1KMT2ADRD2
SCHEMBL31079918 0.71 TDP1 (0.47) TDP1GAAMEN1KMT2ADRD2
SCHEMBL25381100 0.71 CAMK2D (0.48) TDP1GAAMEN1KMT2ADRD2

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