SCHEMBL30282905

SCHEMBL30282905

CCOC(=O)c1c(C)nnn1-c1ccc(I)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
SLC5A1 P13866 6/20 0.46
SLC5A2 P31639 6/20 0.46
MAPT P10636 1/20 0.46
ADORA1 P30542 1/20 0.45
PDE4D Q08499 3/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
NTRK1 P04629 1/20 0.42
FYN P06241 1/20 0.42
MET P08581 1/20 0.42

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
SCHEMBL25044743 0.89 SLC5A1 (0.57) TP53ALOX12SMN1; SMN2SLC5A1SLC5A2
SCHEMBL15897976 0.87 CA12 (0.53) TP53ALOX12SMN1; SMN2SLC5A1SLC5A2
SCHEMBL14710979 0.86 SLC5A1 (0.59) TP53ALOX12SMN1; SMN2SLC5A1SLC5A2
SCHEMBL25045387 0.86 KMT2A (0.56) TP53ALOX12SMN1; SMN2SLC5A1SLC5A2
SCHEMBL20028111 0.86 TP53 (0.66) TP53ALOX12SMN1; SMN2SLC5A1SLC5A2
SCHEMBL15882063 0.85 SMN1; SMN2 (0.65) TP53ALOX12SMN1; SMN2SLC5A1SLC5A2
SCHEMBL25045125 0.83 SMN1; SMN2 (0.47) TP53ALOX12SMN1; SMN2SLC5A1SLC5A2
SCHEMBL25044788 0.83 ADORA1 (0.47) TP53ALOX12SMN1; SMN2SLC5A1SLC5A2
SCHEMBL21623945 0.83 SLC5A1 (0.47) TP53ALOX12SMN1; SMN2SLC5A1SLC5A2
SCHEMBL23856227 0.81 TP53 (0.44) TP53ALOX12SMN1; SMN2SLC5A1SLC5A2

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-115703765-B Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2025-02-28 CN disclosed
CN-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 CN disclosed