SCHEMBL7604012

SCHEMBL7604012

CC(C)C(C(=O)Nc1cccc2c1CC(C)(C(=O)O)C2)c1ccc(CN2N=C(c3ccccc3)CCC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 5/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE4B Q07343 2/20 0.37
PDE4A P27815 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
HTT P42858 1/20 0.37
POLB P06746 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL7601260 0.93 PGR (0.41) PGRSMN1; SMN2TP53KMT2AMEN1
SCHEMBL7601816 0.87 KMT2A (0.43) PGRKMT2A
SCHEMBL1080887 0.86 BACE1 (0.34) KMT2AMEN1LMNAALDH1A1BACE1
SCHEMBL7606070 0.81 KMT2A (0.41) PGRKMT2APDE4BPDE4APDE4C
SCHEMBL1178176 0.81 BACE1 (0.33) BACE1
SCHEMBL1080610 0.80 PARP1 (0.36)
SCHEMBL7602721 0.78 PGR (0.41) PGRSMN1; SMN2TP53KMT2AMEN1
SCHEMBL7605996 0.78 PGR (0.43) PGRSMN1; SMN2TP53KMT2AMEN1
SCHEMBL1080888 0.77 BACE1 (0.33) BACE1
SCHEMBL7606125 0.76 PDE4B (0.39) PGRSMN1; SMN2TP53KMT2AMEN1

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