SCHEMBL3413447

SCHEMBL3413447

O=CC(Br)c1sccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL13251874 0.79 MAPT (0.33) MAPTALDH1A1HTTKMT2A
SCHEMBL6649724 0.78 ADRA1D (0.37) —
SCHEMBL6882418 0.76 ALOX5 (0.41) MAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6648734 0.74 MAPT (0.31) MAPTALDH1A1HTTKMT2A
SCHEMBL11321729 0.64 SLC6A3 (0.33) MAPTALDH1A1HTTKMT2A
SCHEMBL13723850 0.64 — —
SCHEMBL169402 0.64 ALDH1A1 (0.44) ALDH1A1KMT2A
SCHEMBL1421971 0.63 — —
SCHEMBL38142 0.63 ACP3 (0.39) MAPTALDH1A1KMT2A
SCHEMBL1696274 0.63 — —

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-2265606-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 — — EP disclosed
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 — — WO disclosed
EP-1406632-A2 SUBSTITUTED 3-ARYL-5-ARYL- 1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-04-14 — — EP disclosed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 — — WO disclosed
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