SCHEMBL31563705

SCHEMBL31563705

COc1nccc2ccc(Nc3ccc(CNC(=O)OC(C)(C)C)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
NAMPT P43490 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
IGF1R P08069 1/20 0.42
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
NPSR1 Q6W5P4 3/20 0.39
XBP1 P17861 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CYP17A1 P05093 1/20 0.38
PIM1 P11309 1/20 0.37
RECQL P46063 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
GAA P10253 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL32662613 1.00 BRD4 (0.42) BRD4NAMPTL3MBTL1IGF1RMAPT
SCHEMBL32661546 0.74 ACACB (0.37) MAPTHDAC1
SCHEMBL30913744 0.74 BRD4 (0.48) BRD4NAMPTL3MBTL1IGF1RMAPT
SCHEMBL21207106 0.74 BRD4 (0.48) BRD4NAMPTL3MBTL1IGF1RMAPT
SCHEMBL12354945 0.72 IGF1R (0.49) BRD4NAMPTL3MBTL1IGF1RMAPT
SCHEMBL27295841 0.71 NAMPT (0.48) BRD4NAMPTL3MBTL1IGF1RMAPT
SCHEMBL31473425 0.71 NAMPT (0.48) BRD4NAMPTL3MBTL1IGF1RMAPT
SCHEMBL3180689 0.71 L3MBTL1 (0.61) NAMPTL3MBTL1MAPTTDP1NPSR1
SCHEMBL10165065 0.70 LOX (0.48) BRD4NAMPTL3MBTL1
SCHEMBL5459163 0.70 CYP17A1 (0.57) BRD4NAMPTL3MBTL1MAPTTDP1

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
CN-119923393-A Methyltransferase inhibitors and uses thereof 上海赛岚生物科技有限公司 2025-05-02 CN disclosed