SCHEMBL30845280

SCHEMBL30845280

CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1cc(Cl)nn1-c1ncccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
DHODH Q02127 1/20 0.35
MALT1 Q9UDY8 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SLC2A1 P11166 2/20 0.34
SLC2A3 P11169 2/20 0.34
SLC2A4 P14672 2/20 0.34
SLC2A2 P11168 1/20 0.34
KCNH2 Q12809 5/20 0.33
GCK P35557 3/20 0.33
PPARG P37231 1/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
RIPK1 Q13546 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
SCHEMBL563502 1.00 KMT2A (0.36) KMT2APKMDHODHMALT1PDE4A
SCHEMBL10140237 0.95 KMT2A (0.36) KMT2APKMDHODHPDE4APDE4B
SCHEMBL12956899 0.93 PKM (0.42) KMT2APKMDHODHMALT1PDE4A
SCHEMBL959805 0.93 KMT2A (0.36) KMT2APKMDHODHMALT1PDE4A
SCHEMBL11893158 0.92 SLC2A1 (0.35) KMT2APKMSLC2A1SLC2A3SLC2A4
Cyantraniliprole SCHEMBL166640 0.91 DHODH (0.42) KMT2APKMDHODHMALT1PDE4A
SCHEMBL13239852 0.91 KMT2A (0.35) KMT2APKMDHODHMALT1PDE4A
Cyantraniliprole SCHEMBL29354965 0.91 DHODH (0.42) KMT2APKMDHODHMALT1PDE4A
SCHEMBL961226 0.91 SLC2A1 (0.38) KMT2APKMDHODHMALT1PDE4A
SCHEMBL31060063 0.91 SLC2A1 (0.38) KMT2APKMDHODHMALT1PDE4A

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-117858621-A Synergistic effect between isothiocyanate and mixture of commercial fungicides 农维股份公司 2024-04-09 CN disclosed