SCHEMBL22900332

SCHEMBL22900332

Cc1onc2c1C(c1ccc(-c3cnn(C(F)(F)F)c3)cc1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 19/20 0.37
▸ BRD4 O60885 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ CREBBP Q92793 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
SCHEMBL22900568 0.89 QPCT (0.37) QPCT
SCHEMBL22900337 0.87 BRD4 (0.45) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900336 0.87 BRD4 (0.38) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900230 0.85 QPCT (0.37) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900531 0.81 BRD4 (0.31) BRD4CREBBP
SCHEMBL22900333 0.81 QPCT (0.38) QPCT
SCHEMBL24815499 0.76 QPCT (0.40) QPCT
SCHEMBL24815481 0.76 QPCT (0.40) QPCT
SCHEMBL24815506 0.76 QPCT (0.40) QPCT
SCHEMBL29282599 0.76 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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