SCHEMBL7606103

SCHEMBL7606103

O=C(N[C@H]1CC[C@@H](C(=O)O)C1)C(c1ccc(CN2N=C(c3ccccc3)CCC2=O)cc1)C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
PGR P06401 1/20 0.46
LMNA P02545 1/20 0.41
C3AR1 Q16581 6/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 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
SCHEMBL13660622 1.00 KMT2A (0.52) KMT2APGRLMNAC3AR1MEN1
SCHEMBL7606071 1.00 KMT2A (0.52) KMT2APGRLMNAC3AR1MEN1
SCHEMBL13660621 0.96 KMT2A (0.55) KMT2APGRLMNAC3AR1MEN1
SCHEMBL7604168 0.87 KMT2A (0.48) KMT2APGRLMNAMEN1ALDH1A1
SCHEMBL7601114 0.86 KMT2A (0.52) KMT2APGRLMNAC3AR1MEN1
SCHEMBL7604162 0.86 KMT2A (0.54) KMT2APGRLMNAC3AR1MEN1
SCHEMBL7605782 0.86 KMT2A (0.54) KMT2APGRLMNAC3AR1MEN1
SCHEMBL12872151 0.85 C3AR1 (0.40) C3AR1TP53SMN1; SMN2
SCHEMBL12872152 0.85 C3AR1 (0.40) C3AR1TP53SMN1; SMN2
SCHEMBL3693973 0.85 C3AR1 (0.40) C3AR1TP53SMN1; SMN2

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