SCHEMBL24124249

SCHEMBL24124249

CC(C)CNc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 6/20 0.48
TDP1 Q9NUW8 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
XBP1 P17861 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
SDCBP O00560 1/20 0.46
SDC2 P34741 1/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
BRD4 O60885 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7303314 0.85 NAMPT (0.50) NAMPTL3MBTL1MAPTTDP1NPSR1
SCHEMBL3180689 0.84 L3MBTL1 (0.61) NAMPTL3MBTL1MAPTTDP1NPSR1
SCHEMBL38655668 0.84 L3MBTL1 (0.52) NAMPTL3MBTL1MAPTTDP1NPSR1
SCHEMBL25920561 0.83 NAMPT (0.59) NAMPTL3MBTL1MAPTTDP1CA1
SCHEMBL11090977 0.83 NAMPT (0.53) NAMPTL3MBTL1MAPTTDP1NPSR1
SCHEMBL15599335 0.83 NAMPT (0.53) NAMPTL3MBTL1MAPTTDP1NPSR1
SCHEMBL732456 0.82 NAMPT (0.57) NAMPTL3MBTL1MAPTTDP1NPSR1
SCHEMBL28275389 0.81 KCNA5 (0.52) NAMPTL3MBTL1MAPTTDP1NPSR1
SCHEMBL21523879 0.81 NPC1 (0.64) NAMPTL3MBTL1MAPTTDP1NPSR1
SCHEMBL12270350 0.81 GAA (0.53) NAMPTL3MBTL1MAPTTDP1NPSR1

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-2021257544-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-23 WO disclosed