SCHEMBL9925870

SCHEMBL9925870

CC(O)C(NC(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.51
HIF1A Q16665 1/20 0.50
EPAS1 Q99814 1/20 0.50
HDAC1 Q13547 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL14400854 1.00 KMT2A (0.51) KMT2ANPC1HIF1AEPAS1HDAC1
SCHEMBL1109224 1.00 KMT2A (0.51) KMT2ANPC1HIF1AEPAS1HDAC1
SCHEMBL1101249 0.97 NPC1 (0.54) KMT2ANPC1HIF1AEPAS1
SCHEMBL13267412 0.96 HRH3 (0.48) HDAC1HRH3
SCHEMBL15375341 0.94 NPC1 (0.51) KMT2ANPC1HIF1AEPAS1
SCHEMBL13244853 0.94 NPC1 (0.51) KMT2ANPC1HIF1AEPAS1
SCHEMBL3012101 0.94 NPC1 (0.51) KMT2ANPC1HIF1AEPAS1
SCHEMBL15375340 0.94 NPC1 (0.51) KMT2ANPC1HIF1AEPAS1
SCHEMBL13267032 0.94 KDM4E (0.52) KMT2ANPC1HIF1AEPAS1
SCHEMBL13245569 0.94 KDM4E (0.52) KMT2ANPC1HIF1AEPAS1

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
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed