SCHEMBL22900601

SCHEMBL22900601

Cc1[nH]nc2c1C(c1ccc(-c3cnc(C(F)(F)F)s3)cc1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 11/20 0.51
▸ BRD4 O60885 3/20 0.43
▸ BRD3 Q15059 3/20 0.43
▸ BRD2 P25440 2/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ MAPT P10636 2/20 0.38
▸ P2RX3 P56373 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MDM2 Q00987 1/20 0.38

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
SCHEMBL22900498 0.88 BRD4 (0.45) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900517 0.87 QPCT (0.52) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900232 0.86 QPCT (0.50) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900337 0.84 BRD4 (0.45) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900541 0.83 BRD4 (0.44) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900731 0.82 BRD4 (0.46) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900181 0.82 QPCT (0.52) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900186 0.81 QPCT (0.51) QPCT
SCHEMBL22900249 0.79 BRD4 (0.44) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL21793231 0.79 QPCT (0.73) 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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