SCHEMBL7601792

SCHEMBL7601792

COC(=O)CC[C@H]1CC[C@@H](NC(=O)C(c2ccc(CN3N=C(c4ccccc4)CCC3=O)cc2)C2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
PGR P06401 1/20 0.42
C3AR1 Q16581 9/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7603999 1.00 KMT2A (0.51) KMT2APGRC3AR1HRH3PDE4A
SCHEMBL7604005 0.93 KMT2A (0.49) KMT2APGRC3AR1HRH3PDE4A
SCHEMBL7605782 0.92 KMT2A (0.54) KMT2APGRC3AR1HRH3SMN1; SMN2
SCHEMBL7604162 0.92 KMT2A (0.54) KMT2APGRC3AR1HRH3SMN1; SMN2
SCHEMBL13660706 0.89 KMT2A (0.45) KMT2APGRHRH3PDE4APDE4B
SCHEMBL7605723 0.89 KMT2A (0.45) KMT2APGRHRH3PDE4APDE4B
SCHEMBL7605539 0.88 KMT2A (0.45) KMT2APGRHRH3PDE4APDE4B
SCHEMBL1177782 0.87 C3AR1 (0.40) KMT2AC3AR1
SCHEMBL1178118 0.87 C3AR1 (0.40) KMT2AC3AR1
SCHEMBL1177785 0.87 C3AR1 (0.40) KMT2AC3AR1

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