SCHEMBL28115418

SCHEMBL28115418

Oc1cc2c(Br)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.49
AHR P35869 3/20 0.45
HRH4 Q9H3N8 1/20 0.44
NOS1 P29475 1/20 0.42
AXL P30530 1/20 0.42
ITK Q08881 1/20 0.42
AR P10275 1/20 0.40
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
AURKA O14965 1/20 0.38
CDK1 P06493 1/20 0.38
ALOX5 P09917 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
DYRK2 Q92630 1/20 0.38
AURKB Q96GD4 1/20 0.38
AURKC Q9UQB9 1/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL15690473 0.77 DAO (0.65) FLT3HRH4ALDH1A1KDM4EDAO
SCHEMBL28114699 0.75 HRH4 (0.44) AHRHRH4IMPDH2IMPDH1ALDH1A1
SCHEMBL21356683 0.75 AHR (0.45) FLT3AHRHRH4NOS1AXL
SCHEMBL28238792 0.75 AOC3 (0.47) FLT3AHRHRH4NOS1AXL
SCHEMBL27889601 0.75 DAO (0.62) FLT3HRH4IMPDH2IMPDH1AURKA
SCHEMBL31098173 0.75 GAA (0.50) FLT3AHRHRH4NOS1AXL
SCHEMBL470317 0.75 AHR (0.45) FLT3AHRHRH4NOS1AXL
SCHEMBL31070422 0.75 AHR (0.45) FLT3AHRHRH4NOS1AXL
SCHEMBL19373476 0.75 DAO (0.62) FLT3AHRIMPDH2IMPDH1ALDH1A1
SCHEMBL27277840 0.75 DAO (0.62) FLT3HRH4NOS1IMPDH2IMPDH1

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
CN-106220551-A The synthetic method of 4 bromine 2 oxyindoles 叶芳 2016-12-14 CN claimed
CN-106220551-A The synthetic method of 4 bromine 2 oxyindoles 叶芳 2016-12-14 CN disclosed