SCHEMBL28216149

SCHEMBL28216149

CCOC(=O)c1cc(C)n(-c2cccc3ccccc23)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
TP53 P04637 3/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 1/20 0.48
CDC25B P30305 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL28451017 0.89 KMT2A (0.49) KMT2AGAAMAPTALDH1A1HPGD
SCHEMBL21882083 0.83 PDE10A (0.49) KMT2AGAAMAPTALDH1A1CYP1A2
SCHEMBL3299372 0.80 KMT2A (0.68) KMT2AGAAMAPTALDH1A1TP53
SCHEMBL1740575 0.80 KDM4E (0.57) KMT2AGAAMAPTALDH1A1TP53
SCHEMBL3180834 0.79 SLC22A12 (0.47) KMT2AGAAMAPTALDH1A1HPGD
SCHEMBL29766586 0.78 THRB (0.47) KMT2AGAAMAPTALDH1A1CYP1A2
SCHEMBL25897479 0.78 THRB (0.47) KMT2AGAAMAPTALDH1A1CYP1A2
SCHEMBL2258851 0.76 TP53 (0.50) KMT2AGAAMAPTALDH1A1CYP1A2
SCHEMBL6312871 0.76 ALDH1A1 (0.56) KMT2AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4509089 0.76 CYP1A2 (0.49) KMT2AGAAMAPTALDH1A1CYP1A2

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-103003267-B Sigma receptor inhibitors 埃斯特韦实验室有限公司 2018-05-25 CN disclosed