SCHEMBL7543664

SCHEMBL7543664

CCOC=C1C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.52
TGM2 P21980 1/20 0.51
CES1 P23141 1/20 0.51
HSP90AA1 P07900 4/20 0.51
CCNB2 O95067 3/20 0.51
CDK1 P06493 3/20 0.51
CCNB1 P14635 3/20 0.51
CCNB3 Q8WWL7 3/20 0.51
PLK4 O00444 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RPS6KA3 P51812 1/20 0.50
CCR6 P51684 1/20 0.50
MAP1LC3B Q9GZQ8 1/20 0.48
PLK1 P53350 1/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MITF O75030 1/20 0.46
MAPK1 P28482 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL7238205 0.83 RET (0.55) RETTGM2MEN1KMT2ARPS6KA3
SCHEMBL7238212 0.83 RET (0.55) RETTGM2MEN1KMT2ARPS6KA3
SCHEMBL11882118 0.79 SMN1; SMN2 (0.57) RETTGM2PLK4PLK1MAPT
SCHEMBL28411784 0.79 GSK3B (0.57) RETTGM2MEN1KMT2APDGFRB
SCHEMBL14524551 0.79 CCNB2 (0.62) RETTGM2CES1HSP90AA1CCNB2
SCHEMBL14446378 0.79 TGM2 (0.61) RETTGM2CES1HSP90AA1CCNB2
SCHEMBL29622059 0.79 TGM2 (0.61) RETTGM2CES1HSP90AA1CCNB2
SCHEMBL29076767 0.79 TGM2 (0.61) RETTGM2CES1HSP90AA1CCNB2
SCHEMBL5873655 0.75 NTRK1 (0.49) MEN1KMT2AMAPT
SCHEMBL5893904 0.75 NTRK1 (0.49) MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180105-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-02-20 EP disclosed
WO-2000055159-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-21 WO disclosed