SCHEMBL7606070

SCHEMBL7606070

COC(=O)C1(C)Cc2cccc(NC(=O)C(c3ccc(CN4N=C(c5ccccc5)CCC4=O)cc3)C3CCCC3)c2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
PGR P06401 1/20 0.40
PTGS2 P35354 10/20 0.38
PTGES O14684 7/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 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
SCHEMBL7601816 0.94 KMT2A (0.43) KMT2APGRPTGS2PTGES
SCHEMBL1080024 0.88 PTGS2 (0.38) PTGS2PTGES
SCHEMBL7605922 0.85 KMT2A (0.42) KMT2APGRPTGS2PTGESHRH3
SCHEMBL7606107 0.83 KMT2A (0.44) KMT2APGRPTGS2PTGES
SCHEMBL1081286 0.82 PTGES (0.39) PTGS2PTGES
SCHEMBL7604012 0.81 PGR (0.42) KMT2APGRPDE4APDE4BPDE4C
SCHEMBL7601260 0.80 PGR (0.41) KMT2APGRPTGESPDE4APDE4B
SCHEMBL13660757 0.78 PTGS2 (0.48) KMT2APTGS2PTGES
SCHEMBL1081288 0.78 PTGES (0.38) PTGS2PTGES
SCHEMBL7601944 0.76 KMT2A (0.42) KMT2APGRPTGS2PTGESHRH3

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