SCHEMBL22900342

SCHEMBL22900342

Cc1nn(C)c2c1C(c1ccc(N3CCC(F)(F)C3)c(F)c1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 16/20 0.54
▸ BRD4 O60885 4/20 0.34
▸ BRD2 P25440 4/20 0.34
▸ BRD3 Q15059 4/20 0.34
▸ CREBBP Q92793 4/20 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
SCHEMBL22900575 0.90 QPCT (0.54) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900343 0.90 QPCT (0.53) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900350 0.86 QPCT (0.55) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900494 0.81 QPCT (0.48) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900682 0.81 QPCT (0.56) QPCT
SCHEMBL22900208 0.80 QPCT (0.54) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900168 0.79 QPCT (0.53) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900241 0.78 QPCT (0.53) QPCT
SCHEMBL22900456 0.77 QPCT (0.51) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900201 0.77 QPCT (0.55) QPCTBRD4BRD2BRD3CREBBP

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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