SCHEMBL7602872

SCHEMBL7602872

O=C(O)C1Cc2cccc(NC(=O)C(CCC(F)(F)F)c3ccc(CN4N=C(c5ccccc5)CCC4=O)cc3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 3/20 0.36
TP53 P04637 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL1080048 0.87 MAOB (0.33)
SCHEMBL7606107 0.84 KMT2A (0.44) PGRKMT2AALDH1A1MEN1
SCHEMBL7602721 0.83 PGR (0.41) PGRKMT2AALDH1A1MEN1LMNA
SCHEMBL1178627 0.81 MAOB (0.32)
SCHEMBL7606125 0.78 PDE4B (0.39) PGRKMT2AALDH1A1MEN1LMNA
SCHEMBL7605922 0.77 KMT2A (0.42) PGRKMT2APDE4APDE4BPDE4C
SCHEMBL1080049 0.77 MAOB (0.31)
SCHEMBL7604027 0.73 PTGS2 (0.38)
SCHEMBL1080257 0.72 MAOB (0.35) KMT2AALDH1A1MEN1LMNAPDE4B
SCHEMBL7606152 0.72 PTGS2 (0.40)

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