SCHEMBL28397476

SCHEMBL28397476

CC(CS)(C(=O)O)c1cccn2ccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
NUDT1 P36639 1/20 0.34
HTR2A P28223 3/20 0.33
PKLR P30613 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32
NTRK1 P04629 3/20 0.31
SLC22A12 Q96S37 1/20 0.31
TNKS O95271 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
MAP4K4 O95819 1/20 0.30
ABL1 P00519 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
FGFR1 P11362 1/20 0.30
PRKACA P17612 1/20 0.30
KDR P35968 1/20 0.30
MAP2K2 P36507 1/20 0.30

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
SCHEMBL28397965 0.75 SLC22A12 (0.35) SSTR4SLC22A12
SCHEMBL183109 0.74 NUDT1 (0.39) SSTR4NUDT1HTR2APKLRTNKS
SCHEMBL6370683 0.73 NUDT1 (0.42) SSTR4NUDT1TNKSMEN1KMT2A
SCHEMBL19456738 0.70 SLC22A12 (0.47) SLC22A12
SCHEMBL28396551 0.69 SLC22A12 (0.44) NTRK1SLC22A12AURKADAPK3JAK2
SCHEMBL1419899 0.67 KDM4E (0.50) NUDT1HTR2AHTR2CKCNH2SLC22A12
SCHEMBL12540739 0.67 KDM4E (0.47) NUDT1HTR2AHTR2CKCNH2
SCHEMBL259658 0.67 NUDT1 (0.42) NUDT1NTRK1CLK4HSD11B1MEN1
SCHEMBL8313115 0.66 HTR2A (0.43) SSTR4NUDT1HTR2AHTR2CKCNH2
Lithium SCHEMBL31115344 0.66 DHODH (0.49) NUDT1HTR2AHTR2CKCNH2SLC22A12

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-107683282-B URAT1 inhibitor and application thereof in medicine 江苏新元素医药科技有限公司 2020-05-22 CN claimed
CN-107683282-B URAT1 inhibitor and application thereof in medicine 江苏新元素医药科技有限公司 2020-05-22 CN disclosed