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SCHEMBL845735

SCHEMBL845735

Cc1nc2sccn2c1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3c(C)nc4sccn34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40

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
SCHEMBL846025 0.91 POLB (0.38) POLBMAPTKMT2AALDH1A1
SCHEMBL845049 0.83 LMNA (0.48) POLBMAPTKMT2AALDH1A1
SCHEMBL845422 0.78 KMT2A (0.46) POLBMAPTKMT2AALDH1A1
SCHEMBL845592 0.77 KMT2A (0.64) POLBMAPTKMT2AALDH1A1APOBEC3A
SCHEMBL845181 0.76 MAPT (0.69) POLBMAPTALDH1A1APOBEC3AAPOBEC3G
SCHEMBL845598 0.76 RAB9A (0.46) POLBMAPTKMT2AALDH1A1
SCHEMBL845403 0.75 GFER (0.46) MAPTALDH1A1
SCHEMBL845367 0.75 ALDH1A1 (0.47) POLBMAPTKMT2AALDH1A1
SCHEMBL844980 0.74 ALDH1A1 (0.45) POLBMAPTKMT2AALDH1A1
SCHEMBL845421 0.74 ALDH1A1 (0.42) POLBMAPTKMT2AALDH1A1

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