SCHEMBL22900224

SCHEMBL22900224

Cc1[nH]nc2c1C(c1ccc(N3CCC(F)(F)CC3)cc1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 10/20 0.48
▸ BRD4 O60885 3/20 0.45
▸ BRD3 Q15059 3/20 0.45
▸ BRD2 P25440 2/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ TP53 P04637 4/20 0.40
▸ MDM2 Q00987 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36

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 0.95 QPCT (0.54) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900249 0.88 BRD4 (0.44) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900247 0.87 QPCT (0.48) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900350 0.86 QPCT (0.55) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900516 0.86 QPCT (0.52) QPCTTP53MDM2
SCHEMBL22900217 0.85 QPCT (0.46) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900181 0.84 QPCT (0.52) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900208 0.83 QPCT (0.54) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900246 0.81 QPCT (0.52) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900343 0.81 QPCT (0.53) QPCTBRD4BRD3BRD2CREBBP

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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