SCHEMBL9846753

SCHEMBL9846753

COC(=O)c1ccccc1-c1c(Br)c2c(CBr)cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
SLC6A3 Q01959 4/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
NR1H2 P55055 5/20 0.35
TRPV3 Q8NET8 1/20 0.35
PDK2 Q15119 1/20 0.34
SLC6A4 P31645 3/20 0.33
KCNA5 P22460 1/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 1/20 0.32

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 0.80 CCNB2 (0.42) SLC6A3CCNB2CDK1CCNB1GSK3B
SCHEMBL9846745 0.76 CCNB2 (0.44) SLC6A3LMNACCNB2CDK1CCNB1
SCHEMBL2138912 0.70 CHRM2 (0.41) NR1H2
SCHEMBL5284224 0.69 ALDH1A1 (0.55) SLC6A3ALDH1A1LMNASLC6A4KCNA5
SCHEMBL10433539 0.68 KCNA5 (0.47) SLC6A3ALDH1A1LMNASLC6A4KCNA5
SCHEMBL9846683 0.68 NR1H2 (0.43) SLC6A3NR1H2SLC6A4BRD4MEN1
SCHEMBL1760164 0.68 ALDH1A1 (0.53) PTGDR2SLC6A3ALDH1A1LMNAKMT2A
SCHEMBL21463865 0.68 MEN1 (0.53) PTGDR2ALDH1A1LMNANR1H2MEN1
SCHEMBL30285064 0.67 KMT2A (0.46) SLC6A3ALDH1A1LMNASLC6A4BRD4
SCHEMBL7170821 0.66 ALDH1A1 (0.49) SLC6A3ALDH1A1LMNASLC6A4KCNA5

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