SCHEMBL22900296

SCHEMBL22900296

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.53
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HIF1A Q16665 2/20 0.34
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
IDO1 P14902 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL22900291 0.81 QPCT (0.60) QPCTKDM4EGAAALDH1A1KMT2A
SCHEMBL466458 0.77 QPCT (0.85) QPCT
SCHEMBL29410511 0.77 QPCT (0.85) QPCT
SCHEMBL466495 0.75 QPCT (0.72) QPCT
SCHEMBL22900359 0.75 QPCT (0.46) QPCTKDM4EPOLBGAAALDH1A1
SCHEMBL22900609 0.74 QPCT (0.47) QPCTKDM4EPOLBGAAALDH1A1
SCHEMBL22900345 0.71 QPCT (0.58) QPCTGAAALDH1A1MAPTMAPK1
SCHEMBL4297913 0.66 RXFP1 (0.51) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL17082363 0.65 CCR1 (0.47) KDM4EALDH1A1KMT2AMEN1HIF1A
SCHEMBL1444457 0.64 QPCT (0.86) QPCTKDM4EPOLBGAAALDH1A1

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