SCHEMBL28847733

SCHEMBL28847733

NC(=O)C1(OC(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP3 P08254 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL27695977 0.78 NPC1 (0.37) HPGDKDM4EKMT2AALDH1A1MEN1
SCHEMBL10499420 0.74 NR4A1 (0.55) HPGDKDM4EL3MBTL1KMT2APOLB
SCHEMBL29277471 0.74 LMNA (0.47) KDM4EL3MBTL1KMT2APOLBGAA
SCHEMBL22880595 0.73 CDC25B (0.40) HPGDKDM4EL3MBTL1KMT2APOLB
Hydrazine SCHEMBL28964205 0.73 NR4A1 (0.59) HPGDKDM4EL3MBTL1KMT2APOLB
SCHEMBL4404102 0.73 NR4A1 (0.59) HPGDKDM4EL3MBTL1KMT2APOLB
SCHEMBL27824177 0.73 LMNA (0.45) HPGDKDM4EKMT2APOLBGAA
SCHEMBL5987790 0.73 NR4A1 (0.63) HPGDKDM4EL3MBTL1KMT2APOLB
SCHEMBL29459734 0.73 NR4A1 (0.63) HPGDKDM4EL3MBTL1KMT2APOLB
SCHEMBL29990575 0.73 NR4A1 (0.63) HPGDKDM4EL3MBTL1KMT2APOLB

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-107108631-A It is used as the deazapurine derivatives of 6 amino, 7 two ring 7 of kinases inhibitor 内尔维阿诺医学科学有限公司 2017-08-29 CN disclosed