SCHEMBL22900563

SCHEMBL22900563

COc1n[nH]c2c1C(c1ccc(N3CCC(F)(F)C3)cc1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 16/20 0.52
▸ BACE1 P56817 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ IDH1 O75874 1/20 0.32

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
SCHEMBL22900251 0.84 QPCT (0.54) QPCTTP53SMN1; SMN2
SCHEMBL22900287 0.83 QPCT (0.58) QPCT
SCHEMBL22900516 0.83 QPCT (0.52) QPCTTP53
SCHEMBL22900208 0.81 QPCT (0.54) QPCT
SCHEMBL22900343 0.81 QPCT (0.53) QPCT
SCHEMBL22900288 0.80 QPCT (0.52) QPCTBACE1IDH1
SCHEMBL22900524 0.80 QPCT (0.52) QPCT
SCHEMBL22900292 0.79 QPCT (0.55) QPCT
SCHEMBL22900224 0.79 QPCT (0.48) QPCTTP53SMN1; SMN2
SCHEMBL22900221 0.79 QPCT (0.53) 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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