SCHEMBL30174264

SCHEMBL30174264

Cc1csc(-c2c(C)ncc(C(N)=O)c2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.39
SYK P43405 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 2/20 0.34
HPGDS O60760 1/20 0.34
SLC6A7 Q99884 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 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
SCHEMBL30174243 0.80 CHEK1 (0.39) NNMTKDM4EKMT2A
SCHEMBL28966254 0.78 NEK2 (0.43) SYKKDM4EGRIN2BGRIN1
SCHEMBL30174299 0.77 KDM4E (0.36) NNMTSYKKDM4EKMT2AHPGDS
SCHEMBL30174189 0.76 HPGDS (0.34) KDM4EHPGDSSLC6A7DAO
SCHEMBL30174261 0.75 HPGDS (0.36) KDM4EKMT2APARP1HPGDSSLC6A7
SCHEMBL30174194 0.73 CHEK2 (0.45) KDM4EGRIN2BGRIN1
SCHEMBL30174294 0.73 CHEK2 (0.40) NNMTSYKKMT2A
SCHEMBL30174213 0.73 CHEK2 (0.40) NNMTSYKKDM4EKMT2APARP1
SCHEMBL30174265 0.72 CYP2A6 (0.43) NNMTKMT2AHPGDS
SCHEMBL29812284 0.70 LMNA (0.44) KMT2A

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