SCHEMBL846025

SCHEMBL846025

Cc1nc2n(c1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4c(C)nc5sccn45)cc3)cc1)C=CC2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.35
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL845735 0.91 POLB (0.45) POLBKMT2AMAPTALDH1A1
SCHEMBL845049 0.75 LMNA (0.48) POLBKMT2AMAPTALDH1A1NPC1
SCHEMBL845422 0.70 KMT2A (0.46) POLBKMT2AMAPTALDH1A1RHOC
SCHEMBL845592 0.70 KMT2A (0.64) POLBKMT2AMAPTALDH1A1NPC1
SCHEMBL845181 0.69 MAPT (0.69) POLBMAPTALDH1A1
SCHEMBL845598 0.69 RAB9A (0.46) POLBKMT2AMAPTALDH1A1RHOC
SCHEMBL845338 0.68 RHOC (0.48) POLBKMT2AALDH1A1RHOCRHOA
SCHEMBL873200 0.68 RHOC (0.48) KMT2AMAPTALDH1A1RHOCRHOA
SCHEMBL845541 0.68 RHOC (0.49) POLBKMT2AMAPTALDH1A1RHOC
SCHEMBL844934 0.68 RHOC (0.51) KMT2AMAPTALDH1A1RHOCRHOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed