SCHEMBL31022692

SCHEMBL31022692

CCOC(=O)c1c(OCCCNC(=O)OC(C)(C)C)ccc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
BRD4 O60885 1/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 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
SCHEMBL25242780 1.00 KDM4E (0.51) KDM4EL3MBTL1MAPTNPSR1MEN1
SCHEMBL25674716 0.83 KDM4E (0.48) KDM4EL3MBTL1MEN1MAPK1KMT2A
SCHEMBL31188678 0.83 KDM4E (0.47) KDM4EL3MBTL1MEN1MAPK1KMT2A
SCHEMBL30345053 0.82 KDM4E (0.59) KDM4EL3MBTL1MAPTMEN1MAPK1
SCHEMBL25717389 0.82 KDM4E (0.59) KDM4EL3MBTL1MAPTMEN1MAPK1
SCHEMBL30336602 0.82 KDM4E (0.59) KDM4EL3MBTL1MAPTMEN1MAPK1
SCHEMBL25650812 0.81 KDM4E (0.46) KDM4EL3MBTL1MAPTNPSR1MEN1
SCHEMBL16039856 0.79 TP53 (0.49) KDM4EL3MBTL1MAPTNPSR1MEN1
SCHEMBL25674355 0.78 ALDH1A1 (0.42) KDM4EMAPTMEN1MAPK1KMT2A
SCHEMBL2807768 0.75 KDM4E (0.47) KDM4EL3MBTL1MEN1MAPK1KMT2A

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-118434726-A 1H-pyrazol-3-amine derivatives having a bicyclic skeleton 住友制药株式会社 2024-08-02 CN disclosed