SCHEMBL22900325

SCHEMBL22900325

Cn1ncc2c1C(c1ccc(Cl)cc1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 13/20 0.40
▸ BRD4 O60885 6/20 0.38
▸ BRD3 Q15059 6/20 0.38
▸ BRD2 P25440 5/20 0.38
▸ CREBBP Q92793 5/20 0.38
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36

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
SCHEMBL22900328 0.83 BRD2 (0.44) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900167 0.83 QPCT (0.54) QPCT
SCHEMBL22900459 0.81 QPCT (0.40) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900473 0.81 BRD3 (0.35) BRD4BRD3BRD2CREBBPTP53
SCHEMBL22900661 0.80 BRD3 (0.41) BRD4BRD3BRD2CREBBPTP53
SCHEMBL22900460 0.77 QPCT (0.40) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900327 0.77 BRD4 (0.34) BRD4BRD3BRD2CREBBPTP53
SCHEMBL22900454 0.76 QPCT (0.41) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900430 0.76 QPCT (0.41) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900399 0.76 BRD4 (0.41) QPCTBRD4BRD3BRD2CREBBP

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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