SCHEMBL7604032

SCHEMBL7604032

O=C(O)c1ccc(CNC(=O)C(c2ccc(CN3N=C(c4cccc(Cl)c4)CCC3=O)cc2)C2CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
PTGES O14684 4/20 0.40
BDKRB2 P30411 1/20 0.40
ADAM17 P78536 1/20 0.38
MMP13 P45452 1/20 0.38
PTGER4 P35408 2/20 0.37
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
SCHEMBL7602899 0.92 LMNA (0.50) PGRLMNAKMT2ATP53BDKRB2
SCHEMBL1178681 0.86 MAOB (0.41) LMNAPTGESBDKRB2ADAM17MMP13
SCHEMBL13660764 0.84 TP53 (0.48) PGRLMNAKMT2ATP53BDKRB2
SCHEMBL7606111 0.83 KMT2A (0.47) PGRLMNAKMT2ATP53BDKRB2
SCHEMBL7601099 0.80 KMT2A (0.45) PGRLMNAKMT2ATP53BDKRB2
Bicarbonate SCHEMBL3695270 0.80 PTGES (0.41) PTGESBDKRB2ADAM17
SCHEMBL1079989 0.79 BDKRB2 (0.41) KMT2ATP53BDKRB2PTGER4
SCHEMBL1177753 0.79 MAOB (0.40) TP53PTGESBDKRB2PDE4APDE4B
SCHEMBL1179323 0.78 CNR1 (0.39) LMNAPTGESBDKRB2MMP13
SCHEMBL7601937 0.77 BDKRB2 (0.37) PGRLMNAKMT2ATP53BDKRB2

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