SCHEMBL22900498

SCHEMBL22900498

Cc1[nH]nc2c1C(c1ccc(-c3csc(C(F)(F)F)n3)cc1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.45
▸ BRD3 Q15059 3/20 0.45
▸ BRD2 P25440 2/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ QPCT Q16769 12/20 0.42
▸ P2RX3 P56373 1/20 0.39
▸ MAPT P10636 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
SCHEMBL22900334 0.88 QPCT (0.42) BRD4BRD3BRD2QPCT
SCHEMBL22900601 0.88 QPCT (0.51) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900337 0.82 BRD4 (0.45) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900181 0.82 QPCT (0.52) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900335 0.81 QPCT (0.42) QPCT
SCHEMBL22900541 0.81 BRD4 (0.44) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900731 0.80 BRD4 (0.46) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900249 0.79 BRD4 (0.44) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900517 0.77 QPCT (0.52) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900224 0.77 QPCT (0.48) BRD4BRD3BRD2CREBBPQPCT

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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