SCHEMBL7605539

SCHEMBL7605539

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
PGR P06401 1/20 0.42
PDE4B Q07343 2/20 0.40
PDE3A Q14432 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 5/20 0.39
LMNA P02545 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 2/20 0.37
THRB P10828 1/20 0.37
PDE5A O76074 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL7605723 0.95 KMT2A (0.45) KMT2ASMN1; SMN2PGRPDE4BPDE3A
SCHEMBL13660706 0.95 KMT2A (0.45) KMT2ASMN1; SMN2PGRPDE4BPDE3A
SCHEMBL7601792 0.88 KMT2A (0.51) KMT2ASMN1; SMN2PGRPDE4BPDE3A
SCHEMBL7603999 0.88 KMT2A (0.51) KMT2ASMN1; SMN2PGRPDE4BPDE3A
SCHEMBL1177677 0.81 HPGD (0.35) POLBALDH1A1
SCHEMBL1177679 0.81 HPGD (0.35) POLBALDH1A1
SCHEMBL1178010 0.81 HPGD (0.35) POLBALDH1A1
SCHEMBL7604005 0.81 KMT2A (0.49) KMT2ASMN1; SMN2PGRPDE4BPDE3A
SCHEMBL7605782 0.80 KMT2A (0.54) KMT2ASMN1; SMN2PGRMEN1TP53
SCHEMBL7604162 0.80 KMT2A (0.54) KMT2ASMN1; SMN2PGRMEN1TP53

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