SCHEMBL30753226

SCHEMBL30753226

COC(=O)c1c[nH]c(=O)c2sccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 12/20 0.49
CREBBP Q92793 1/20 0.49
MAP2K1 Q02750 1/20 0.46
AXL P30530 3/20 0.43
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHEK1 O14757 1/20 0.38
MET P08581 1/20 0.38
GSK3B P49841 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL30753217 0.88 NR4A2 (0.45) NR4A2CREBBPMAP2K1AXLKDM4E
SCHEMBL29196577 0.82 KDM4E (0.53) KDM4EKMT2ADYRK1A
SCHEMBL31549255 0.76 NR4A2 (0.53) NR4A2CREBBPMAP2K1AXLKDM4E
SCHEMBL926243 0.74 NR4A2 (0.68) NR4A2CREBBPMAP2K1AXLKDM4E
SCHEMBL12768358 0.73 PIM1 (0.47) NR4A2CREBBPKDM4EGLAGAA
SCHEMBL20509597 0.72 KMT2A (0.41) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL15790576 0.72 KMT2A (0.43) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL29196591 0.71 KDM4E (0.56) KDM4EKMT2ADYRK1A
SCHEMBL12768660 0.71 NEK1 (0.41) KDM4EGLAGAACHEK1MET
SCHEMBL1527660 0.71 PIM1 (0.44) NR4A2CREBBPKDM4EGLAGAA

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-117412966-A Condensed pyridines for combating invertebrate pests FMC公司 2024-01-16 CN disclosed