SCHEMBL7606111

SCHEMBL7606111

C=C(OC)c1ccc(CNC(=O)C(c2ccc(CN3N=C(c4ccccc4)CCC3=O)cc2)C2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
TP53 P04637 4/20 0.47
LMNA P02545 2/20 0.46
PGR P06401 1/20 0.42
POLB P06746 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
BDKRB2 P30411 1/20 0.40
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13660764 0.92 TP53 (0.48) KMT2ATP53LMNAPGRPOLB
SCHEMBL7602899 0.90 LMNA (0.50) KMT2ATP53LMNAPGRPOLB
SCHEMBL7601937 0.90 BDKRB2 (0.37) KMT2ATP53LMNAPGRHRH3
SCHEMBL7604032 0.83 PGR (0.42) KMT2ATP53LMNAPGRPDE4A
SCHEMBL7601099 0.80 KMT2A (0.45) KMT2ATP53LMNAPGRPOLB
SCHEMBL13660621 0.80 KMT2A (0.55) KMT2ATP53LMNAPGRHRH3
SCHEMBL7605776 0.80 KMT2A (0.47) KMT2ATP53LMNAPGRPOLB
SCHEMBL7604168 0.79 KMT2A (0.48) KMT2ATP53LMNAPGRPOLB
SCHEMBL7603999 0.79 KMT2A (0.51) KMT2ATP53PGRPOLBHRH3
SCHEMBL7601792 0.79 KMT2A (0.51) KMT2ATP53PGRPOLBHRH3

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