SCHEMBL7605993

SCHEMBL7605993

C=C(O)C(c1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1)C(C)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HDAC1 Q13547 4/20 0.46
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1178475 0.91 MEN1 (0.56) POLBMEN1KMT2AHDAC1TP53
SCHEMBL1178554 0.86 MEN1 (0.54) POLBMEN1KMT2AHDAC1KDM4E
SCHEMBL1178397 0.77 MET (0.45) MEN1KMT2AHDAC1KDM4E
SCHEMBL1178083 0.77 PTGES (0.47) MEN1KMT2AHDAC1
SCHEMBL1194034 0.75 MEN1 (0.53) POLBMEN1KMT2AHDAC1TP53
SCHEMBL3705301 0.75 HDAC1 (0.43) POLBMEN1KMT2AHDAC1
SCHEMBL1177781 0.74 PTGDR2 (0.37) MEN1KMT2AHDAC1MAPTKDM4E
SCHEMBL11140135 0.74 POLB (0.74) POLBMEN1KMT2AHDAC1TP53
SCHEMBL7601254 0.74 POLB (0.55) POLBMEN1KMT2AHDAC1TP53
SCHEMBL1177945 0.74 MEN1 (0.42) MEN1KMT2AHDAC1MAPT

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