SCHEMBL3701713

SCHEMBL3701713

Cc1c(CC(C)C(=O)O)cccc1NC(=O)C(CC(C)CC(F)(F)F)c1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS2 P35354 7/20 0.41
PTGES O14684 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
SCHEMBL1178750 0.89 MEN1 (0.44) HDAC1MEN1KMT2APTGES
SCHEMBL1194034 0.83 MEN1 (0.53) HDAC1MEN1KMT2A
SCHEMBL3705301 0.79 HDAC1 (0.43) HDAC1MEN1KMT2A
SCHEMBL1178083 0.76 PTGES (0.47) HDAC1MEN1KMT2APTGS2PTGES
SCHEMBL1178620 0.74 PTGS2 (0.50) PTGS2PTGES
SCHEMBL1177945 0.73 MEN1 (0.42) HDAC1MEN1KMT2APTGES
SCHEMBL1179533 0.72 PTGS2 (0.42) PTGS2PTGES
SCHEMBL1178855 0.70 PTGS2 (0.37) PTGS2PTGES
SCHEMBL1178046 0.70 PTGES (0.64) PTGS2PTGES
SCHEMBL1178475 0.69 MEN1 (0.56) HDAC1MEN1KMT2A

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-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed