SCHEMBL22900458

SCHEMBL22900458

Cc1nn(C)c2c1C(c1ccc(Br)cc1F)N(c1ccc3c(c1)ncn3COCC[Si](C)(C)C)C2=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD2 P25440 17/20 0.38
▸ BRD3 Q15059 17/20 0.38
▸ BRD4 O60885 16/20 0.38
▸ CREBBP Q92793 15/20 0.38
▸ QPCT Q16769 1/20 0.36
▸ DGAT1 O75907 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
SCHEMBL22900354 0.90 BRD4 (0.38) BRD2BRD3BRD4CREBBPQPCT
SCHEMBL22900445 0.87 BRD4 (0.41) BRD2BRD3BRD4CREBBPQPCT
SCHEMBL22900567 0.86 BRD2 (0.36) BRD2BRD3BRD4CREBBPDGAT1
SCHEMBL22900484 0.85 BRD4 (0.44) BRD2BRD3BRD4CREBBPQPCT
SCHEMBL22900418 0.85 QPCT (0.36) BRD4CREBBPQPCTDGAT1
SCHEMBL22900684 0.85 QPCT (0.36) BRD2BRD3BRD4CREBBPQPCT
SCHEMBL22900491 0.84 BRD4 (0.36) BRD2BRD3BRD4CREBBPQPCT
SCHEMBL22900452 0.83 MDM2 (0.41) BRD2BRD3BRD4CREBBPQPCT
SCHEMBL22900514 0.83 BRD3 (0.43) BRD2BRD3BRD4CREBBPQPCT
SCHEMBL22900542 0.82 BRD4 (0.43) BRD2BRD3BRD4CREBBP

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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