SCHEMBL9846745

SCHEMBL9846745

COC(=O)c1ccccc1-c1c(Br)c2cc(C)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3B P49841 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
SLC6A3 Q01959 4/20 0.39
NR1H2 P55055 3/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
ALOX5AP P20292 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR4A2 P43354 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 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
SCHEMBL9846675 0.87 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9846733 0.81 CCNB2 (0.44) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9846755 0.78 MAPT (0.46) MAPTTP53LMNAALOX5APHSP90AA1
SCHEMBL9846763 0.78 NR1H2 (0.51) NR1H2MAPTTP53LMNA
SCHEMBL9846753 0.76 PTGDR2 (0.38) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9846726 0.74 CCNB2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9846683 0.74 NR1H2 (0.43) SLC6A3NR1H2SLC6A4SLC6A2KMT2A
SCHEMBL15280123 0.72 CHRM2 (0.50) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL2186140 0.71 CCNB2 (0.49) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL9846776 0.69 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3BCCNB3

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-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP disclosed