SCHEMBL845259

SCHEMBL845259

O=C(c1ccsc1)N(C(=O)[C@@H]1CCCN1C(=O)C1=CCC=C1)c1ccc(/C=C/c2ccc(N(C(=O)c3ccsc3)C(=O)[C@@H]3CCCN3C(=O)c3ccsc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL845568 0.93 RHOC (0.36) KMT2AALDH1A1POLB
SCHEMBL845565 0.90 KMT2A (0.35) KMT2AALDH1A1POLBRXFP1
SCHEMBL845438 0.83 RHOC (0.41) KMT2AALDH1A1POLB
SCHEMBL845541 0.70 RHOC (0.49) KMT2AALDH1A1POLB
SCHEMBL845335 0.64 MAPT (0.57) ALDH1A1POLB
SCHEMBL871839 0.62 PSMB8 (0.39)
SCHEMBL13753573 0.61 GAA (0.62) KMT2AALDH1A1POLBRXFP1
SCHEMBL28282693 0.61 GAA (0.62) KMT2AALDH1A1POLBRXFP1
SCHEMBL845216 0.59 NPC1 (0.46) KMT2AALDH1A1POLB
SCHEMBL845229 0.58 RHOC (0.48) KMT2AALDH1A1

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