SCHEMBL21593345

SCHEMBL21593345

COc1cc(Br)cc2c1C(=O)N(CC1CC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.42
SIK2 Q9H0K1 6/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EZH2 Q15910 1/20 0.35
ACHE P22303 1/20 0.35
HTR1A P08908 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL21593328 0.84 SIK2 (0.41) SIK2MEN1KMT2AEZH2GAA
SCHEMBL21593371 0.81 SIK2 (0.45) SIK2MEN1KMT2AEZH2GAA
SCHEMBL21593330 0.80 SIK2 (0.58) SIK2MEN1KMT2A
SCHEMBL30903189 0.80 DRD4 (0.39) SIK2MEN1KMT2AEZH2
SCHEMBL21593443 0.80 SIK2 (0.41) SIK2MEN1KMT2AEZH2GAA
SCHEMBL32691557 0.78 GRM5 (0.47) GRM5SIK2KMT2AEZH2
SCHEMBL21593334 0.78 SIK1 (0.42) SIK2MEN1KMT2AGAA
SCHEMBL28597676 0.77 MEN1 (0.55) GRM5MEN1KMT2AGAA
SCHEMBL32691499 0.76 SIK2 (0.42) GRM5SIK2MEN1KMT2AEZH2
SCHEMBL22491132 0.73 GAA (0.38) GAA

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
WO-2019238424-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2019-12-19 WO disclosed