SCHEMBL1379484

SCHEMBL1379484

COc1ccc2nccc(-c3ccc(CCNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)cc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ATM Q13315 1/20 0.48
GFER P55789 1/20 0.46
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.39

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
SCHEMBL1379346 0.86 MEN1 (0.41) KMT2APOLBMEN1
SCHEMBL1376532 0.85 KMT2A (0.43) KMT2AATMPOLBMEN1
SCHEMBL1379356 0.83 ATM (0.39) KMT2AATMGFERPOLBMEN1
SCHEMBL3161685 0.81 KMT2A (0.41) KMT2AATMGFERPOLB
SCHEMBL4070565 0.80 HTR7 (0.45) KMT2AATMGFERPOLB
SCHEMBL2920939 0.79 KCNH2 (0.44)
SCHEMBL4065150 0.78 ATM (0.44) KMT2AATMGFERPOLB
SCHEMBL4069110 0.78 HTR7 (0.43) KMT2AATMGFERPOLB
SCHEMBL4065505 0.78 KMT2A (0.42) KMT2AATMGFERPOLB
Hydrochloric Acid SCHEMBL4064063 0.77 HTR7 (0.43) KMT2AATMGFERPOLB

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
JP-4654035-B2 2011-03-16 JP claimed
EP-1560488-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-09-01 EP claimed