SCHEMBL22900318

SCHEMBL22900318

Cn1nc(C(F)(F)F)c2c1C(c1ccc(N3CCC(F)(F)C3)cc1F)N(c1ccc3c(c1)ncn3COCC[Si](C)(C)C)C2=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 6/20 0.39
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 1/20 0.30

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
SCHEMBL22900449 0.92 QPCT (0.39) QPCTBRD4CREBBP
SCHEMBL22900412 0.87 QPCT (0.39) QPCT
SCHEMBL22900416 0.86 CREBBP (0.34) BRD4CREBBP
SCHEMBL22900478 0.86 QPCT (0.40) QPCTBRD4CREBBP
SCHEMBL22900269 0.84 QPCT (0.38) QPCT
SCHEMBL22900272 0.83 QPCT (0.38) QPCTBRD4CREBBP
SCHEMBL22900547 0.83 QPCT (0.40) QPCTBRD4CREBBP
SCHEMBL22900271 0.82 QPCT (0.38) QPCT
SCHEMBL22900509 0.81 QPCT (0.40) QPCTBRD4CREBBP
SCHEMBL22900316 0.81 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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