SCHEMBL28230815

SCHEMBL28230815

CC(C)(C)OC(=O)c1cccc2nc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
GLA P06280 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
PTBP1 P26599 1/20 0.44
RCE1 Q9Y256 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
ABCB1 P08183 1/20 0.42
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
ATM Q13315 1/20 0.39
EDNRA P25101 1/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL28720824 0.85 KMT2A (0.42) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL29505627 0.85 KMT2A (0.42) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL28231808 0.85 MEN1 (0.41) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL28231761 0.85 KMT2A (0.44) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL23632474 0.85 MEN1 (0.44) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL28055302 0.84 HTR3A (0.41) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL27546693 0.84 KDM4E (0.56) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL11527133 0.83 KDM4E (0.50) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL29209989 0.83 KMT2A (0.40) KMT2AMEN1NPC1RAB9AGAA
Hydrochloric Acid SCHEMBL28301754 0.82 KDM4E (0.55) KMT2AMEN1NPC1RAB9AGAA

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-108290878-A NOVEL FERROPORTIN INHIBITORS 威佛(国际)股份公司 2018-07-17 CN disclosed