SCHEMBL13660725

SCHEMBL13660725

CC(C(C(=O)Nc1cc(CCC(=O)OC(C)(C)C)ccc1F)c1ccc(CN2N=C(c3ccccc3)CCC2=O)cc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
PGR P06401 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 6/20 0.36
THRB P10828 3/20 0.35
LMNA P02545 4/20 0.34

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
SCHEMBL13660616 0.88 PGR (0.39) SMN1; SMN2PGRKMT2AMEN1GAA
SCHEMBL1178374 0.88 MAOB (0.32)
SCHEMBL13660722 0.83 SMN1; SMN2 (0.43) SMN1; SMN2PGRKMT2AMEN1GAA
SCHEMBL1931098 0.81 P2RX3 (0.36)
SCHEMBL1932232 0.81 P2RX3 (0.36)
SCHEMBL7606114 0.80 SMN1; SMN2 (0.44) SMN1; SMN2PGRKMT2AMEN1GAA
SCHEMBL1178595 0.79 PTGES (0.35)
SCHEMBL1931872 0.79 AAK1 (0.34) SMN1; SMN2GAAALDH1A1POLBLMNA
SCHEMBL7602037 0.78 PTGES (0.47) SMN1; SMN2
SCHEMBL1178693 0.78 MAOB (0.33)

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
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed