SCHEMBL28475154

SCHEMBL28475154

Cc1c(Cl)cnc(Cl)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
PLAU P00749 1/20 0.43
TSHR P16473 1/20 0.38
NNMT P40261 4/20 0.38
SIRT6 Q8N6T7 1/20 0.37
HSD17B10 Q99714 1/20 0.36
DAO P14920 1/20 0.36
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.33
PKMYT1 Q99640 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
ACVR1 Q04771 1/20 0.33
MAP4K4 O95819 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL27448979 0.85 POLB (0.50) POLBPLAUTSHRNNMTSIRT6
SCHEMBL11782158 0.83 PLAU (0.42) POLBPLAUTSHRNNMTSIRT6
SCHEMBL30562670 0.82 ALDH1A1 (0.44) PLAUHSD17B10DAOMEN1KMT2A
SCHEMBL19028056 0.82 ALDH1A1 (0.44) PLAUHSD17B10DAOMEN1KMT2A
SCHEMBL4144902 0.81 POLB (0.43) POLBPLAUTSHRNNMTSIRT6
SCHEMBL30867441 0.81 POLB (0.43) POLBPLAUTSHRNNMTSIRT6
SCHEMBL23235003 0.80 POLB (0.40) POLBPLAUTSHRNNMTSIRT6
SCHEMBL29804406 0.78 MAPK1 (0.40) POLBTSHRHSD17B10DAOMAPT
SCHEMBL24683113 0.78 MAPK1 (0.40) POLBTSHRHSD17B10DAOMAPT
SCHEMBL27904171 0.77 POLB (0.50) POLBTSHRNNMTSIRT6HSD17B10

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-111867585-A Oxadiazole transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2020-10-30 CN disclosed