SCHEMBL22900418

SCHEMBL22900418

Cc1c2c(nn1C)C(c1ccc(Br)cc1F)N(c1ccc3c(c1)ncn3COCC[Si](C)(C)C)C2=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.36
▸ DGAT1 O75907 3/20 0.34
▸ BRD4 O60885 2/20 0.31
▸ CREBBP Q92793 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
SCHEMBL22900354 0.88 BRD4 (0.38) QPCTDGAT1BRD4CREBBP
SCHEMBL22900412 0.86 QPCT (0.39) QPCT
SCHEMBL22900458 0.85 BRD2 (0.38) QPCTDGAT1BRD4CREBBP
SCHEMBL22900410 0.84 QPCT (0.31) QPCT
SCHEMBL22900445 0.84 BRD4 (0.41) QPCTDGAT1BRD4CREBBP
SCHEMBL22900485 0.82 ALDH1A1 (0.43) QPCT
SCHEMBL22900491 0.81 BRD4 (0.36) QPCTDGAT1BRD4CREBBP
SCHEMBL22900484 0.81 BRD4 (0.44) QPCTBRD4CREBBP
SCHEMBL22900422 0.81 QPCT (0.37) QPCT
SCHEMBL22900324 0.80 CREBBP (0.35) BRD4CREBBP

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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