SCHEMBL3705301

SCHEMBL3705301

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.37

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
SCHEMBL1178083 0.88 PTGES (0.47) HDAC1MEN1KMT2A
SCHEMBL1177945 0.85 MEN1 (0.42) HDAC1MEN1KMT2A
SCHEMBL1178620 0.84 PTGS2 (0.50)
SCHEMBL3694433 0.81 PTGS2 (0.36)
SCHEMBL1904681 0.80 PTGES (0.42)
SCHEMBL1178475 0.79 MEN1 (0.56) HDAC1MEN1KMT2APOLB
SCHEMBL3701713 0.79 HDAC1 (0.43) HDAC1MEN1KMT2A
SCHEMBL1178554 0.76 MEN1 (0.54) HDAC1MEN1KMT2APOLB
SCHEMBL3694701 0.75 PTGS2 (0.53)
SCHEMBL7605993 0.75 POLB (0.54) HDAC1MEN1KMT2APOLB

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