SCHEMBL7605782

SCHEMBL7605782

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
PGR P06401 1/20 0.44
C3AR1 Q16581 9/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
PTGES O14684 1/20 0.38
POLB P06746 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
SCHEMBL7604162 1.00 KMT2A (0.54) KMT2APGRC3AR1SMN1; SMN2LMNA
SCHEMBL7603999 0.92 KMT2A (0.51) KMT2APGRC3AR1SMN1; SMN2HRH3
SCHEMBL7601792 0.92 KMT2A (0.51) KMT2APGRC3AR1SMN1; SMN2HRH3
SCHEMBL7601114 0.92 KMT2A (0.52) KMT2APGRC3AR1SMN1; SMN2LMNA
SCHEMBL13660621 0.88 KMT2A (0.55) KMT2APGRC3AR1SMN1; SMN2LMNA
SCHEMBL7606071 0.86 KMT2A (0.52) KMT2APGRC3AR1SMN1; SMN2LMNA
SCHEMBL7606103 0.86 KMT2A (0.52) KMT2APGRC3AR1SMN1; SMN2LMNA
SCHEMBL13660622 0.86 KMT2A (0.52) KMT2APGRC3AR1SMN1; SMN2LMNA
SCHEMBL1194091 0.86 C3AR1 (0.42) KMT2AC3AR1PTGES
SCHEMBL3693796 0.86 C3AR1 (0.42) KMT2AC3AR1PTGES

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