SCHEMBL27366691

SCHEMBL27366691

CCOC(=O)C1CCc2nc(C(=O)N(C)C)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.46
MAPT P10636 4/20 0.38
LIMK1 P53667 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
HSD17B10 Q99714 2/20 0.34
LGMN Q99538 1/20 0.34
MAPK1 P28482 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
SCHEMBL27366718 0.89 PDK1 (0.45) PDK1MAPTLIMK1KDM4EALDH1A1
SCHEMBL27366654 0.84 PDK1 (0.51) PDK1MAPTLIMK1KDM4EALDH1A1
SCHEMBL27366669 0.81 PDK1 (0.50) PDK1MAPTLIMK1KDM4EALDH1A1
SCHEMBL1107076 0.78 PDK1 (0.47) PDK1MAPTLIMK1KDM4EALDH1A1
SCHEMBL537662 0.78 PDK1 (0.47) PDK1MAPTLIMK1KDM4EALDH1A1
SCHEMBL27367050 0.76 DRD2 (0.43) PDK1MAPTLIMK1KDM4EALDH1A1
SCHEMBL1208500 0.75 PDK1 (0.45) PDK1MAPTLIMK1KDM4EALDH1A1
SCHEMBL2878655 0.74 DRD2 (0.49) PDK1MAPTLIMK1KDM4EALDH1A1
SCHEMBL27366767 0.71 CNR2 (0.32) DRD2DRD3CNR2
SCHEMBL27366761 0.71 LMNA (0.32) MAPTALDH1A1DRD2DRD3CNR2

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-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed