SCHEMBL30968893

SCHEMBL30968893

NC(=O)c1ccnc2sccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
LIMK1 P53667 3/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
IGF1R P08069 1/20 0.43

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
SCHEMBL30968889 0.83 PKM (0.49) KDM4EL3MBTL1ALDH1A1MAPTLIMK1
SCHEMBL11278687 0.83 PKM (0.49) KDM4EL3MBTL1ALDH1A1MAPTLIMK1
SCHEMBL20509746 0.81 HTT (0.49) KDM4EALDH1A1MAPK1LIMK1CHEK1
SCHEMBL4892703 0.76 MEN1 (0.41) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL27788768 0.75 LIMK1 (0.51) KDM4EL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL1497897 0.73 MEN1 (0.44) KDM4EL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL20509551 0.71 KDM4E (0.37) KDM4EMEN1ALDH1A1KMT2ALIMK1
Hydrochloric Acid SCHEMBL6196266 0.71 MEN1 (0.43) KDM4EL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL4157610 0.70 CHEK1 (0.45) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL22270837 0.70 CHEK1 (0.45) L3MBTL1MEN1ALDH1A1MAPTKMT2A

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-118059093-A Inhibitors of short chain dehydrogenase activity for the treatment of fibrosis 卡斯西部储备大学 2024-05-24 CN disclosed