SCHEMBL22900682

SCHEMBL22900682

CC(=O)C1=C(O)C(=O)N(c2ccc3[nH]cnc3c2)C1c1ccc(N2CCC(F)(F)C2)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 12/20 0.56
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ RXFP1 Q9HBX9 3/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL22900292 0.89 QPCT (0.55) QPCTALDH1A1HPGDKDM4EGAA
SCHEMBL22900241 0.83 QPCT (0.53) QPCT
SCHEMBL22900350 0.82 QPCT (0.55) QPCTKDM4EGAAALOX15
SCHEMBL22900526 0.81 QPCT (0.54) QPCTALDH1A1HPGDKDM4E
SCHEMBL22900342 0.81 QPCT (0.54) QPCT
SCHEMBL22900575 0.81 QPCT (0.54) QPCT
SCHEMBL4300306 0.80 ALDH1A1 (0.53) QPCTALDH1A1HPGDKDM4EGAA
SCHEMBL16053682 0.79 QPCT (0.88) QPCT
SCHEMBL17476410 0.79 QPCT (0.88) QPCT
SCHEMBL29410458 0.79 QPCT (0.88) 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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