SCHEMBL19732950

SCHEMBL19732950

CC1=C(C(=O)O)[C@H](c2ccc(F)cc2)NC(=O)N1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
MAPT P10636 1/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
USP2 O75604 1/20 0.60
RXFP1 Q9HBX9 1/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
RPS6KB1 P23443 1/20 0.52

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
SCHEMBL19732957 1.00 GAA (0.67) GAAMAPTMEN1KMT2AUSP2
SCHEMBL19732951 1.00 GAA (0.67) GAAMAPTMEN1KMT2AUSP2
SCHEMBL14413503 0.88 GAA (0.64) GAAMAPTMEN1KMT2AUSP2
SCHEMBL15196535 0.88 USP2 (0.73) GAAMAPTMEN1KMT2AUSP2
SCHEMBL19732920 0.88 USP2 (0.63) GAAMAPTMEN1KMT2AUSP2
SCHEMBL19732919 0.88 USP2 (0.63) GAAMAPTMEN1KMT2AUSP2
SCHEMBL19732955 0.86 USP2 (0.79) MAPTMEN1KMT2AUSP2TDP1
SCHEMBL19732923 0.86 USP2 (0.79) MAPTMEN1KMT2AUSP2TDP1
SCHEMBL13789190 0.86 USP2 (0.79) MAPTMEN1KMT2AUSP2TDP1
SCHEMBL2569532 0.85 USP2 (0.52) GAAMAPTMEN1KMT2AUSP2

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