SCHEMBL7602899

SCHEMBL7602899

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.49
TP53 P04637 2/20 0.49
PGR P06401 1/20 0.46
BDKRB2 P30411 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7604032 0.92 PGR (0.42) LMNAKMT2ATP53PGRBDKRB2
SCHEMBL13660764 0.92 TP53 (0.48) LMNAKMT2ATP53PGRBDKRB2
SCHEMBL7606111 0.90 KMT2A (0.47) LMNAKMT2ATP53PGRBDKRB2
SCHEMBL7601099 0.86 KMT2A (0.45) LMNAKMT2ATP53PGRBDKRB2
SCHEMBL1079989 0.85 BDKRB2 (0.41) KMT2ATP53BDKRB2ALDH1A1
SCHEMBL7604168 0.83 KMT2A (0.48) LMNAKMT2ATP53PGRHRH3
SCHEMBL13660621 0.82 KMT2A (0.55) LMNAKMT2ATP53PGRHRH3
SCHEMBL7605776 0.82 KMT2A (0.47) LMNAKMT2ATP53PGRHRH3
SCHEMBL7904520 0.81 KMT2A (0.46) LMNAKMT2ATP53PGRHRH3
SCHEMBL13660622 0.81 KMT2A (0.52) LMNAKMT2ATP53PGRHRH3

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