SCHEMBL28216845

SCHEMBL28216845

CC(C)(C)OC(=O)NCCc1ncno1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 7/20 0.47
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43
GFER P55789 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
XBP1 P17861 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL17717585 0.85 L3MBTL1 (0.42) HTTNPSR1TDP1LMNAGFER
SCHEMBL10178236 0.78 HTT (0.54) HTTNPSR1ALDH1A1MAPTTDP1
SCHEMBL24387685 0.74 HTT (0.53) HTTNPSR1ALDH1A1MAPTTDP1
SCHEMBL22730736 0.74 HTT (0.56) HTTNPSR1ALDH1A1MAPTTDP1
SCHEMBL18765190 0.74 HTT (0.53) HTTNPSR1ALDH1A1MAPTTDP1
SCHEMBL1786298 0.74 HTT (0.71) HTTNPSR1ALDH1A1MAPTTDP1
SCHEMBL2552253 0.73 HTT (0.52) HTTNPSR1ALDH1A1MAPTTDP1
SCHEMBL18764784 0.73 HTT (0.52) HTTNPSR1ALDH1A1MAPTTDP1
SCHEMBL3956902 0.72 HTT (0.69) HTTNPSR1ALDH1A1MAPTTDP1
SCHEMBL18765021 0.72 HTT (0.54) HTTNPSR1ALDH1A1MAPTTDP1

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 2 patents. 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
CN-108025084-A Antibody Drug Conjugates (ADC) and antibody prodrug conjugates (APDC) with enzyme cleavable groups 拜耳医药股份有限公司 2018-05-11 CN disclosed