SCHEMBL31098519

SCHEMBL31098519

CCOC(=O)c1ncccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.50
NAMPT P43490 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
AKT1 P31749 1/20 0.41
KCNA5 P22460 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
METAP1 P53582 1/20 0.40
KDM4A O75164 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
TDP2 O95551 1/20 0.38

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
SCHEMBL6756990 0.90 KCNA5 (0.49) BRD4NAMPTL3MBTL1AKT1KCNA5
SCHEMBL16767053 0.85 KDM4E (0.50) NAMPTL3MBTL1AKT1KCNA5MAPT
SCHEMBL29883701 0.85 KDM4E (0.50) NAMPTL3MBTL1AKT1KCNA5MAPT
SCHEMBL29435339 0.81 LMNA (0.52) NAMPTL3MBTL1KCNA5KDM4ALMNA
SCHEMBL20428076 0.81 LMNA (0.52) NAMPTL3MBTL1KCNA5KDM4ALMNA
SCHEMBL4906896 0.80 BRD4 (0.70) BRD4MAPTMETAP1LMNANPC1
SCHEMBL16829010 0.80 NAMPT (0.45) BRD4NAMPTL3MBTL1AKT1KCNA5
SCHEMBL12578946 0.79 ATR (0.47) NAMPTL3MBTL1AKT1KCNA5KDM4E
SCHEMBL15804093 0.79 NAMPT (0.46) BRD4NAMPTL3MBTL1AKT1KCNA5
SCHEMBL28472394 0.78 BRD4 (0.61) BRD4MAPTKDM4ELMNANPC1

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-113563245-B Substituted pyrrolidines and their use in medicine 广东东阳光药业股份有限公司 2024-10-15 CN disclosed