SCHEMBL22900292

SCHEMBL22900292

CC(=O)C1=C(O)C(=O)N(c2ccc3[nH]cnc3c2)C1c1ccc(N2CCC(F)(F)C2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 11/20 0.55
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ GAA P10253 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ CCR2 P41597 1/20 0.35

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
SCHEMBL22900526 0.92 QPCT (0.54) QPCTKDM4EALDH1A1HPGD
SCHEMBL22900682 0.89 QPCT (0.56) QPCTKDM4EALDH1A1HPGDGAA
SCHEMBL22900287 0.83 QPCT (0.58) QPCT
SCHEMBL22900288 0.83 QPCT (0.52) QPCT
SCHEMBL22900255 0.82 QPCT (0.54) QPCTKDM4EALDH1A1HPGDGAA
SCHEMBL22900243 0.82 QPCT (0.51) QPCT
SCHEMBL22900167 0.81 QPCT (0.54) QPCT
SCHEMBL22900251 0.81 QPCT (0.54) QPCT
SCHEMBL22900208 0.81 QPCT (0.54) QPCT
SCHEMBL22900596 0.81 QPCT (0.55) 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
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