SCHEMBL25816955

SCHEMBL25816955

CNC(=O)C(CCC=O)N1C(=O)c2cccc(F)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.36
GRM1 Q13255 4/20 0.36
GRM4 Q14833 3/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALPL P05186 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 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
SCHEMBL14629574 0.87 TNF (0.42) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL19451332 0.87 TNF (0.42) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL22698792 0.85 ALDH1A1 (0.47) GAAALDH1A1KDM4ETP53GLA
SCHEMBL22525461 0.85 ANPEP (0.37) GAAALDH1A1KDM4ETP53GLA
SCHEMBL25815872 0.85 GAA (0.36) GAAALDH1A1KDM4ETP53GLA
SCHEMBL20046786 0.85 ALDH1A1 (0.44) MAPTGAAGRM1ALDH1A1KDM4E
SCHEMBL25814305 0.84 ALDH1A1 (0.38) GAAALDH1A1KDM4ETP53GLA
SCHEMBL27404461 0.83 GAA (0.34) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL22941350 0.83 MEN1 (0.36) MAPTGAAALDH1A1POLBHPGD
SCHEMBL19453175 0.83 GAA (0.34) MAPTGAAALDH1A1KDM4ETP53

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-2023129506-A1 POTENT AND SELECTIVE SMARCA2 DEGRADING CHIMERIC MOLECULES AS CANCER THERAPEUTICS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-06 WO disclosed