SCHEMBL22900293

SCHEMBL22900293

CC(=O)C1=C(O)C(=O)N(c2ccc3[nH]cnc3c2)C1c1ccc(OCC(C)(F)F)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 14/20 0.56
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL22900638 0.92 QPCT (0.57) QPCTALDH1A1GAAALOX15NPSR1
SCHEMBL22900403 0.86 QPCT (0.55) QPCTALDH1A1GAAALOX15NPSR1
SCHEMBL4300306 0.83 ALDH1A1 (0.53) QPCTALDH1A1GAAALOX15NPSR1
SCHEMBL22900295 0.81 QPCT (0.53) QPCT
SCHEMBL20853789 0.80 QPCT (0.67) QPCT
SCHEMBL20853780 0.80 QPCT (0.67) QPCT
SCHEMBL20853771 0.80 QPCT (0.67) QPCT
SCHEMBL29445221 0.80 QPCT (0.67) QPCT
SCHEMBL29445217 0.80 QPCT (0.67) QPCT
SCHEMBL4303161 0.79 QPCT (0.53) QPCTALDH1A1GAAALOX15NPSR1

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
WO-2021009068-A1 N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME SCENIC IMMUNOLOGY B.V. (NL) 2021-01-21 WO disclosed