SCHEMBL6119323

SCHEMBL6119323

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.47
▸ CYP4A11 Q02928 2/20 0.47
▸ GAA P10253 2/20 0.43
▸ HPGD P15428 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL6119223 0.88 KDM4E (0.46) CYP4F2CYP4A11GAAHPGDLMNA
SCHEMBL6120486 0.81 KDM4E (0.41) CYP4F2CYP4A11GAAHPGDTSHR
SCHEMBL28406215 0.80 ABL1 (0.46) GAAHPGDLMNAMAPTALDH1A1
SCHEMBL844331 0.79 CYP4F2 (0.72) CYP4F2CYP4A11GAAHPGDLMNA
SCHEMBL30750476 0.79 CYP4F2 (0.72) CYP4F2CYP4A11GAAHPGDLMNA
SCHEMBL1830479 0.79 CYP4F2 (0.55) CYP4F2CYP4A11GAAHPGDLMNA
SCHEMBL6118711 0.78 GAA (0.42) GAAHPGDLMNAMAPTALDH1A1
SCHEMBL26596781 0.78 KDM4E (0.46) CYP4F2CYP4A11GAAHPGDLMNA
SCHEMBL6120235 0.77 NOTUM (0.46) CYP4F2CYP4A11GAAHPGDLMNA
SCHEMBL3722864 0.77 NQO2 (0.51) GAAHPGDLMNATSHRMAPT

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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