SCHEMBL22900291

SCHEMBL22900291

COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc3[nH]cnc3c2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.56
▸ HIF1A Q16665 2/20 0.55
▸ ALDH1A1 P00352 4/20 0.51
▸ GAA P10253 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPT P10636 1/20 0.49
▸ RXFP1 Q9HBX9 5/20 0.47
▸ CCR1 P32246 4/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CCR2 P41597 2/20 0.41

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
SCHEMBL4297913 0.85 RXFP1 (0.51) KDM4EHIF1AALDH1A1GAAHPGD
SCHEMBL17082363 0.84 CCR1 (0.47) KDM4EHIF1AALDH1A1HPGDRXFP1
SCHEMBL22900543 0.84 CCR1 (0.52) KDM4EHIF1AALDH1A1HPGDMAPT
SCHEMBL466458 0.83 QPCT (0.85) QPCT
SCHEMBL29410511 0.83 QPCT (0.85) QPCT
SCHEMBL3820969 0.82 CCR1 (0.46) QPCTKDM4EHIF1AALDH1A1GAA
SCHEMBL3811905 0.82 QPCT (0.56) QPCTKDM4EHIF1AALDH1A1HPGD
SCHEMBL4296944 0.82 CCR1 (0.55) KDM4EHIF1AALDH1A1HPGDRXFP1
SCHEMBL22900296 0.81 QPCT (0.53) QPCTKDM4EHIF1AALDH1A1GAA
SCHEMBL22900215 0.81 QPCT (0.59) QPCTHIF1AMAPTRXFP1CCR1

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
Send feedback