SCHEMBL22900181

SCHEMBL22900181

Cc1[nH]nc2c1C(c1ccc(Br)cc1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.52
▸ BRD4 O60885 3/20 0.49
▸ BRD3 Q15059 3/20 0.49
▸ BRD2 P25440 2/20 0.49
▸ CREBBP Q92793 1/20 0.49
▸ MAPT P10636 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ THRB P10828 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HSD17B10 Q99714 4/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TP53 P04637 6/20 0.44
▸ MDM2 Q00987 2/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ GAA P10253 2/20 0.40

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
SCHEMBL22900451 0.89 QPCT (0.50) QPCTTP53MDM2
SCHEMBL22900256 0.85 QPCT (0.54) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900224 0.84 QPCT (0.48) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900456 0.83 QPCT (0.51) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900249 0.83 BRD4 (0.44) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900731 0.83 BRD4 (0.46) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900251 0.83 QPCT (0.54) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900337 0.82 BRD4 (0.45) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900498 0.82 BRD4 (0.45) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900601 0.82 QPCT (0.51) 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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