SCHEMBL7601328

SCHEMBL7601328

O=C(Nc1cc(F)cc(CC2(C(=O)O)CC2)c1)C(c1ccc(CN2N=C(c3ccccc3)CCC2=O)cc1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
PGR P06401 1/20 0.41
PTGES O14684 5/20 0.40
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
HTR1E P28566 3/20 0.38
S1PR3 Q99500 3/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
PTGS2 P35354 4/20 0.35

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
SCHEMBL7606117 0.88 KMT2A (0.44) KMT2APGRPTGESMEN1ALDH1A1
SCHEMBL1080559 0.88 PTGES (0.40) KMT2APTGESMEN1LMNAHTR1E
SCHEMBL7601831 0.86 PTGES (0.46) KMT2APGRPTGESMEN1LMNA
SCHEMBL7601086 0.80 PTGES (0.54) KMT2APGRPTGESMEN1LMNA
SCHEMBL12872092 0.80 PTGES (0.39) KMT2APTGESMEN1LMNAHTR1E
SCHEMBL7903336 0.80 KMT2A (0.45) KMT2APGRLMNATP53HRH3
SCHEMBL7601830 0.79 PTGES (0.46) KMT2APGRPTGESMEN1LMNA
SCHEMBL10006328 0.79 HTR1E (0.44) KMT2APTGESMEN1LMNAHTR1E
SCHEMBL1178561 0.79 PTGES (0.46) KMT2APTGESMEN1LMNAHTR1E
SCHEMBL7601815 0.78 KMT2A (0.44) KMT2APGRPTGESMEN1LMNA

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