SCHEMBL22900403

SCHEMBL22900403

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 11/20 0.55
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HIF1A Q16665 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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 0.88 QPCT (0.57) QPCTALDH1A1GAAALOX15NPSR1
SCHEMBL22900293 0.86 QPCT (0.56) QPCTALDH1A1GAAALOX15NPSR1
SCHEMBL4300306 0.82 ALDH1A1 (0.53) QPCTALDH1A1GAAALOX15NPSR1
SCHEMBL22900404 0.82 QPCT (0.53) QPCT
SCHEMBL22900338 0.82 QPCT (0.53) QPCT
SCHEMBL20853794 0.80 QPCT (0.67) QPCT
SCHEMBL20853787 0.80 QPCT (0.67) QPCT
SCHEMBL29445186 0.80 QPCT (0.67) QPCT
SCHEMBL20853786 0.80 QPCT (0.67) QPCT
SCHEMBL29445210 0.80 QPCT (0.67) QPCT

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