SCHEMBL753074

SCHEMBL753074

O=CC(Br)c1ccc(Oc2ccc(C(=O)CBr)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.50
▸ PTPN1 P18031 6/20 0.43
▸ ERCC5 P28715 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ PARP10 Q53GL7 2/20 0.37
▸ PARP3 Q9Y6F1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PARP15 Q460N3 1/20 0.37
▸ PARP14 Q460N5 1/20 0.37
▸ PARP16 Q8N5Y8 1/20 0.37
▸ PARP11 Q9NR21 1/20 0.37
▸ PARP4 Q9UKK3 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MMP1 P03956 1/20 0.36

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
SCHEMBL4307699 0.91 GSK3B (0.52) GSK3BPTPN1KMT2A
SCHEMBL695598 0.86 GSK3B (0.43) GSK3BPTPN1ERCC5FEN1SRD5A2
SCHEMBL27881404 0.84 GSK3B (0.49) GSK3BPTPN1ERCC5FEN1SRD5A2
SCHEMBL204218 0.82 GSK3B (0.70) GSK3BPTPN1ERCC5FEN1PARP10
SCHEMBL1758965 0.77 PTPN1 (0.51) GSK3BPTPN1
SCHEMBL27881403 0.77 GSK3B (0.51) GSK3BPTPN1ERCC5FEN1SRD5A2
SCHEMBL1350830 0.75 GSK3B (0.67) GSK3BPTPN1ERCC5FEN1SRD5A2
SCHEMBL8260473 0.75 GSK3B (0.77) GSK3BPTPN1ERCC5FEN1SRD5A2
SCHEMBL1701352 0.75 LTA4H (0.46) SRD5A2PARP10KMT2A
SCHEMBL21495038 0.75 LTA4H (0.46) SRD5A2PARP10KMT2A

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 — — EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 — — WO disclosed
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