SCHEMBL22900345

SCHEMBL22900345

COc1ccc(C2c3c(nn(C)c3C)C(=O)N2c2ccc3[nH]cnc3c2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.58
BRD4 O60885 10/20 0.44
BRD2 P25440 9/20 0.44
BRD3 Q15059 9/20 0.44
HSD17B10 Q99714 4/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
CREBBP Q92793 2/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL22900329 0.82 QPCT (0.55) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL466458 0.81 QPCT (0.85) QPCT
SCHEMBL29410511 0.81 QPCT (0.85) QPCT
SCHEMBL22900604 0.80 QPCT (0.58) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900602 0.80 QPCT (0.58) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900196 0.80 QPCT (0.58) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900291 0.80 QPCT (0.60) QPCTGAAALOX15MAPTHTT
SCHEMBL22900210 0.78 QPCT (0.52) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900304 0.78 BRD4 (0.44) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900300 0.78 BRD4 (0.44) QPCTBRD4BRD2BRD3CREBBP

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