SCHEMBL19732956

SCHEMBL19732956

CC1=C(C(=O)O)[C@@H](c2ccccc2F)NC(=O)N1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.78
USP2 O75604 1/20 0.54
POLB P06746 3/20 0.53
TSHR P16473 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL8267885 1.00 GAA (0.78) GAAUSP2POLBTSHRMEN1
SCHEMBL28689598 0.89 GAA (0.62) GAAUSP2POLBTSHRMEN1
SCHEMBL22748852 0.89 GAA (0.62) GAAUSP2POLBTSHRMEN1
SCHEMBL14413865 0.84 GAA (0.56) GAAUSP2POLBTSHRMEN1
SCHEMBL19732924 0.83 MEN1 (0.62) GAAUSP2POLBTSHRMEN1
SCHEMBL19732925 0.83 MEN1 (0.62) GAAUSP2POLBTSHRMEN1
SCHEMBL19732943 0.83 POLB (0.70) GAAUSP2POLBTSHRMEN1
SCHEMBL19732942 0.83 POLB (0.70) GAAUSP2POLBTSHRMEN1
SCHEMBL19752654 0.83 POLB (0.74) GAAPOLBTSHRMEN1KMT2A
SCHEMBL2951080 0.83 POLB (0.74) GAAPOLBTSHRMEN1KMT2A

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-3260446-A1 ENANTIOSELECTIVE SYNTHESIS OF DIHYDROPYRIMIDINONES AND HEXAHYDROPYRIMIDINONES Universitat de les Illes Balears (ES) 2017-12-27 EP disclosed