SCHEMBL6120486

SCHEMBL6120486

COC(=O)c1cc(CBr)cc(F)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SOS1 Q07889 1/20 0.38
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ HTT P42858 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ PDK2 Q15119 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
SCHEMBL6119223 0.88 KDM4E (0.46) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL6119323 0.81 CYP4F2 (0.47) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL6120235 0.80 NOTUM (0.46) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL28406632 0.80 CES2 (0.42) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL21957016 0.80 CYP4F2 (0.40) KDM4EGAAMAPTHPGDTSHR
SCHEMBL6119252 0.80 SOS1 (0.42) KDM4EHSD17B10GAAMAPTTSHR
SCHEMBL30842613 0.79 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL489064 0.79 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL2060890 0.79 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL24526306 0.79 KDM4E (0.47) KDM4EALDH1A1HSD17B10GAAMAPT

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-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 — — WO disclosed
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