SCHEMBL22900438

SCHEMBL22900438

C[Si](C)(C)CCOCn1cnc2cc(N3C(=O)c4sc(Br)nc4C3c3ccc(Cl)cc3F)ccc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.33
▸ BRD3 Q15059 7/20 0.33
▸ CREBBP Q92793 7/20 0.33
▸ BRD2 P25440 6/20 0.33
▸ MDM2 Q00987 2/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ QPCT Q16769 1/20 0.30

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
SCHEMBL22900461 0.93 BRD4 (0.34) BRD4BRD3CREBBPBRD2MDM2
SCHEMBL22900431 0.88 CREBBP (0.33) BRD4BRD3CREBBPBRD2MDM2
SCHEMBL22900398 0.85 BRD4 (0.36) BRD4BRD3CREBBPBRD2MDM2
SCHEMBL22900453 0.84 BRD4 (0.36) BRD4BRD3CREBBPBRD2MDM2
SCHEMBL22900324 0.82 CREBBP (0.35) BRD4BRD3CREBBPBRD2MDM2
SCHEMBL22900327 0.80 BRD4 (0.34) BRD4BRD3CREBBPBRD2MDM2
SCHEMBL22900326 0.79 BRD2 (0.40) BRD4BRD3CREBBPBRD2MDM2
SCHEMBL22900416 0.78 CREBBP (0.34) BRD4BRD3CREBBPBRD2MDM2
SCHEMBL22900458 0.77 BRD2 (0.38) BRD4BRD3CREBBPBRD2QPCT
SCHEMBL22900485 0.76 ALDH1A1 (0.43) 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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