SCHEMBL1984642

SCHEMBL1984642

CC(C)(C)OC(=O)N1CCCC1c1nc(Br)c(Br)[nH]1.O=C1CCC(=O)N1Br

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ UCHL1 P09936 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ PTGES O14684 2/20 0.36
▸ SCN4A P35499 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PDE8B O95263 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL1984645 1.00 ALDH1A1 (0.39) ALDH1A1UCHL1KMT2ATSHRMEN1
SCHEMBL10173733 0.91 ALDH1A1 (0.45) ALDH1A1UCHL1KMT2ATSHRMEN1
SCHEMBL241258 0.91 ALDH1A1 (0.45) ALDH1A1UCHL1KMT2ATSHRMEN1
SCHEMBL241257 0.91 ALDH1A1 (0.45) ALDH1A1UCHL1KMT2ATSHRMEN1
SCHEMBL23247408 0.88 ALDH1A1 (0.42) ALDH1A1UCHL1KMT2ATSHRMEN1
SCHEMBL18058877 0.80 ALDH1A1 (0.43) ALDH1A1UCHL1KMT2ATSHRMEN1
SCHEMBL18731202 0.77 UCHL1 (0.43) ALDH1A1UCHL1KMT2ATSHRMEN1
SCHEMBL9936981 0.74 HCRTR1 (0.38) —
SCHEMBL17396070 0.74 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMEN1L3MBTL1
SCHEMBL18291891 0.74 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMEN1L3MBTL1

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-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 — — EP disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 — — WO disclosed
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