SCHEMBL22900333

SCHEMBL22900333

CC(=N)C1=C(O)C(=O)N(c2ccc3[nH]cnc3c2)C1c1ccc(-c2cnn(C(F)(F)F)c2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 19/20 0.38
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 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
SCHEMBL22900568 0.81 QPCT (0.37) QPCT
SCHEMBL22900337 0.81 BRD4 (0.45) QPCTKDM4E
SCHEMBL22900230 0.81 QPCT (0.37) QPCT
SCHEMBL22900336 0.81 BRD4 (0.38) QPCT
SCHEMBL22900332 0.81 QPCT (0.37) QPCT
SCHEMBL22900255 0.74 QPCT (0.54) QPCTKDM4EALDH1A1HPGD
SCHEMBL24815481 0.73 QPCT (0.40) QPCT
SCHEMBL24816760 0.73 QPCT (0.40) QPCT
SCHEMBL24815508 0.73 QPCT (0.40) QPCT
SCHEMBL24815506 0.73 QPCT (0.40) 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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