SCHEMBL22900526

SCHEMBL22900526

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 14/20 0.54
▸ P2RX3 P56373 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX5AP P20292 4/20 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 0.92 QPCT (0.55) QPCTKDM4EALDH1A1HPGD
SCHEMBL22900521 0.84 QPCT (0.51) QPCTP2RX3KDM4EALDH1A1HPGD
SCHEMBL22900288 0.82 QPCT (0.52) QPCT
SCHEMBL22900682 0.81 QPCT (0.56) QPCTKDM4EALDH1A1HPGD
SCHEMBL22900242 0.81 QPCT (0.51) QPCT
SCHEMBL22900287 0.80 QPCT (0.58) QPCT
SCHEMBL22900524 0.80 QPCT (0.52) QPCT
SCHEMBL22900251 0.80 QPCT (0.54) QPCT
SCHEMBL22900167 0.80 QPCT (0.54) QPCT
SCHEMBL22900596 0.80 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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