SCHEMBL7601114

SCHEMBL7601114

O=C(O)CCC1CCCC(NC(=O)C(c2ccc(CN3N=C(c4ccccc4)CCC3=O)cc2)C2CCCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
PGR P06401 1/20 0.43
C3AR1 Q16581 7/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 2/20 0.38
PTGES O14684 2/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 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
SCHEMBL7604005 0.93 KMT2A (0.49) KMT2APGRC3AR1HRH3SMN1; SMN2
SCHEMBL7605782 0.92 KMT2A (0.54) KMT2APGRC3AR1HRH3SMN1; SMN2
SCHEMBL7604162 0.92 KMT2A (0.54) KMT2APGRC3AR1HRH3SMN1; SMN2
SCHEMBL13660622 0.86 KMT2A (0.52) KMT2APGRC3AR1HRH3SMN1; SMN2
SCHEMBL7606071 0.86 KMT2A (0.52) KMT2APGRC3AR1HRH3SMN1; SMN2
SCHEMBL7606103 0.86 KMT2A (0.52) KMT2APGRC3AR1HRH3SMN1; SMN2
SCHEMBL1193476 0.86 C3AR1 (0.40) KMT2AC3AR1PTGES
SCHEMBL7603999 0.85 KMT2A (0.51) KMT2APGRC3AR1HRH3SMN1; SMN2
SCHEMBL7601792 0.85 KMT2A (0.51) KMT2APGRC3AR1HRH3SMN1; SMN2
SCHEMBL13660621 0.84 KMT2A (0.55) KMT2APGRC3AR1HRH3SMN1; 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