SCHEMBL30174243

SCHEMBL30174243

Cc1ncc(C(N)=O)c(O)c1-c1cncs1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
CHEK2 O96017 1/20 0.39
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
EEF2K O00418 7/20 0.35
CD38 P28907 2/20 0.35
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NNMT P40261 2/20 0.35
LRRK2 Q5S007 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL30174264 0.80 NNMT (0.39) KDM4EKMT2ANNMT
SCHEMBL28966254 0.80 NEK2 (0.43) CHEK1CHEK2KDM4E
SCHEMBL30174299 0.79 KDM4E (0.36) KDM4EKMT2ASIRT3TDP1NNMT
SCHEMBL30174213 0.75 CHEK2 (0.40) CHEK2KDM4EKMT2AEEF2KNNMT
SCHEMBL30174294 0.75 CHEK2 (0.40) CHEK2KMT2AEEF2KSIRT3TDP1
SCHEMBL30174265 0.74 CYP2A6 (0.43) KMT2AEEF2KSIRT3TDP1NNMT
SCHEMBL30174194 0.72 CHEK2 (0.45) CHEK1CHEK2KDM4E
SCHEMBL29812284 0.72 LMNA (0.44) KMT2ATDP1
Hydrochloric Acid SCHEMBL29812079 0.71 LMNA (0.44) KMT2ATDP1
SCHEMBL30174202 0.70 TGFBR1 (0.38) KDM4E

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-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed