SCHEMBL22900485

SCHEMBL22900485

CC(=O)C1=C(O)C(=O)N(c2ccc3c(c2)ncn3COCC[Si](C)(C)C)C1c1ccc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 7/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ CCR1 P32246 4/20 0.42
▸ CCR2 P41597 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ QPCT Q16769 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL22900445 0.82 BRD4 (0.41) QPCT
SCHEMBL22900484 0.82 BRD4 (0.44) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL22900418 0.82 QPCT (0.36) QPCT
SCHEMBL22900354 0.82 BRD4 (0.38) QPCT
SCHEMBL22900458 0.82 BRD2 (0.38) QPCT
SCHEMBL22900452 0.80 MDM2 (0.41) QPCT
SCHEMBL22900491 0.80 BRD4 (0.36) QPCT
SCHEMBL22900255 0.77 QPCT (0.54) ALDH1A1KDM4EGAAHIF1ANPSR1
SCHEMBL22900438 0.76 BRD4 (0.33) QPCT
SCHEMBL22900324 0.75 CREBBP (0.35) —

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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