SCHEMBL1758965

SCHEMBL1758965

O=CC(Br)c1ccc(-c2ccc3cc(C(=O)CBr)ccc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.51
▸ GSK3B P49841 6/20 0.43
▸ UTS2R Q9UKP6 5/20 0.35
▸ ERN1 O75460 2/20 0.34
▸ PLAU P00749 1/20 0.33
▸ FFAR1 O14842 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
SCHEMBL1293480 0.82 PTPN1 (0.68) PTPN1GSK3BPLAU
SCHEMBL4307699 0.82 GSK3B (0.52) PTPN1GSK3B
SCHEMBL753074 0.77 GSK3B (0.50) PTPN1GSK3B
SCHEMBL1758852 0.77 GSK3B (0.42) PTPN1GSK3BERN1
SCHEMBL11482012 0.75 PTPN1 (0.84) PTPN1GSK3BPLAU
SCHEMBL27944525 0.74 UTS2R (0.43) UTS2RERN1
SCHEMBL1758869 0.73 PLAU (0.36) PTPN1UTS2RERN1PLAUFFAR1
SCHEMBL15114347 0.72 PTPN1 (0.78) PTPN1GSK3B
SCHEMBL579790 0.72 ACP3 (0.31) —
SCHEMBL1440680 0.72 ACP3 (0.31) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499127-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 — — EP disclosed
EP-2499115-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 — — EP disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 — — WO disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 — — WO disclosed
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