SCHEMBL31444786

SCHEMBL31444786

CN1C(=O)[C@@H](CCC(=O)O)Oc2cc(N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.44
F10 P00742 9/20 0.44
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
BRD4 O60885 1/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
EGFR P00533 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PPARG P37231 1/20 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
SCHEMBL31444703 0.87 F2 (0.37) F2F10ITGB3ITGA2BBRD4
SCHEMBL31444676 0.87 F2 (0.37) F2F10ITGB3ITGA2BBRD4
SCHEMBL8147718 0.74 PDE3B (0.41) F10BRD4MEN1KMT2ANPSR1
SCHEMBL17434322 0.72 HSD17B10 (0.43) BRD4HSD17B10MEN1GAACASP1
SCHEMBL17434009 0.71 BRD4 (0.42) BRD4HSD17B10ALOX15NPSR1PPARG
SCHEMBL9826702 0.69 F2 (0.47) F2F10NPSR1
SCHEMBL14507328 0.67 PPARG (0.42) KDM4EALDH1A1HPGDPPARG
SCHEMBL17433950 0.67 HTT (0.47) BRD4HSD17B10KMT2AALOX15NPSR1
SCHEMBL3602608 0.67 REN (0.37) BRD4PPARG
SCHEMBL31444744 0.67 ATM (0.45) F2F10HSD17B10MEN1KMT2A

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-2025096710-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed