SCHEMBL22900337

SCHEMBL22900337

Cc1[nH]nc2c1C(c1ccc(-c3cnn(C(F)(F)F)c3)cc1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.45
▸ BRD3 Q15059 3/20 0.45
▸ BRD2 P25440 2/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ TP53 P04637 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ MDM2 Q00987 2/20 0.38
▸ QPCT Q16769 3/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 2/20 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
SCHEMBL22900336 0.87 BRD4 (0.38) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900332 0.87 QPCT (0.37) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900230 0.86 QPCT (0.37) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900568 0.85 QPCT (0.37) QPCT
SCHEMBL22900541 0.84 BRD4 (0.44) BRD4BRD3BRD2CREBBPTP53
SCHEMBL22900601 0.84 QPCT (0.51) BRD4BRD3BRD2CREBBPTP53
SCHEMBL22900731 0.83 BRD4 (0.46) BRD4BRD3BRD2CREBBPTP53
SCHEMBL22900498 0.82 BRD4 (0.45) BRD4BRD3BRD2CREBBPTP53
SCHEMBL22900231 0.82 BRD4 (0.46) BRD4BRD3BRD2CREBBPTP53
SCHEMBL22900181 0.82 QPCT (0.52) BRD4BRD3BRD2CREBBPTP53

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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