SCHEMBL29102405

SCHEMBL29102405

CCOC(=O)n1cnc(I)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
LPO P22079 4/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 1/20 0.34
NOTUM Q6P988 1/20 0.34
PDE4A P27815 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL10710918 0.81 KMT2A (0.40) KDM4EALDH1A1MAPTLPOLMNA
SCHEMBL27475316 0.79 ALDH1A1 (0.38) KDM4EALDH1A1GAAMAPTLPO
SCHEMBL24712832 0.79 LPO (0.38) KDM4EALDH1A1GAAMAPTLPO
SCHEMBL29009217 0.76 NOTUM (0.35) KDM4EALDH1A1MAPTLPOLMNA
SCHEMBL66200 0.76 ALDH1A1 (0.34) KDM4EALDH1A1GAAGLAMAPT
SCHEMBL27667506 0.76 ALDH1A1 (0.34) KDM4EALDH1A1GAAMAPTLPO
SCHEMBL307578 0.75 RAB9A (0.52) KDM4EALDH1A1LMNAMAPK1MITF
SCHEMBL9241037 0.73 ALDH1A1 (0.33) KDM4EALDH1A1MAPTLPOLMNA
SCHEMBL30606887 0.73 CYP1A2 (0.40) KDM4EALDH1A1GAAGLAMAPT
SCHEMBL18038824 0.73 CYP1A2 (0.40) KDM4EALDH1A1GAAGLAMAPT

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-109824656-B Polysubstituted imidazole formate derivative and application thereof 成都麻沸散医药科技有限公司 2023-11-10 CN disclosed