SCHEMBL6279072

SCHEMBL6279072

On1nnc2cc(Br)ccc21.On1nnc2ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ PKM P14618 1/20 0.50
▸ CTNNB1 P35222 9/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TCF7L2 Q9NQB0 1/20 0.40
▸ PABPC1 P11940 1/20 0.36
▸ MGAM O43451 2/20 0.36
▸ AMY1A P0DUB6 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ SI P14410 2/20 0.36
▸ MGAM2 Q2M2H8 2/20 0.36
▸ F12 P00748 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3279375 0.93 ATM (0.53) POLBMAPK1ATMPKMCTNNB1
SCHEMBL3282304 0.93 PKM (0.56) POLBMAPK1ATMPKMCTNNB1
SCHEMBL5702818 0.74 ALDH1A1 (0.36) POLBMAPK1ATMPKMALDH1A1
SCHEMBL6551713 0.72 PKM (0.57) POLBMAPK1ATMPKMCTNNB1
SCHEMBL16863946 0.72 PKM (0.58) POLBMAPK1ATMPKMCTNNB1
Water SCHEMBL5279559 0.71 PKM (0.56) POLBMAPK1ATMPKMCTNNB1
SCHEMBL12100525 0.71 HCAR3 (0.54) POLBMAPK1ALDH1A1HSD17B10KDM4E
SCHEMBL3278850 0.71 MAPK1 (0.53) POLBMAPK1ATMPKMALDH1A1
SCHEMBL9636128 0.71 PABPC1 (0.36) MAPK1PKMALDH1A1PABPC1MGAM
SCHEMBL1161406 0.71 SLC9A1 (0.53) POLBALDH1A1PABPC1MGAMAMY1A

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-1606447-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE Lanxess B.V. (NL) 2005-12-21 — — EP disclosed
WO-2004083516-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE LANXESS B.V. (NL) 2004-09-30 — — WO disclosed
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