SCHEMBL30714902

SCHEMBL30714902

Oc1ccc2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 7/20 0.51
GAA P10253 7/20 0.51
SI P14410 7/20 0.51
MGAM2 Q2M2H8 7/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL13197406 0.83 MGAM (0.58) MGAMGAASIMGAM2BCHE
SCHEMBL17975192 0.80 SIRT2 (0.46)
SCHEMBL37609 0.79 BCHE (0.55) MGAMGAASIMGAM2BCHE
SCHEMBL2475314 0.78 BCHE (0.67) MGAMGAASIMGAM2BCHE
SCHEMBL18999405 0.77 BCHE (0.47) MGAMGAASIMGAM2BCHE
SCHEMBL668956 0.77 BCHE (0.59) MGAMGAASIMGAM2BCHE
SCHEMBL2173277 0.76 BCHE (0.65) MGAMGAASIMGAM2BCHE
SCHEMBL668695 0.76 BCHE (0.62) MGAMGAASIMGAM2BCHE
SCHEMBL14280128 0.76 MGAM (0.55) MGAMGAASIMGAM2BCHE
SCHEMBL13777164 0.75 MGAM (0.57) MGAMGAASIMGAM2BCHE

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
WO-2023242454-A1 HYBRID MATERIAL FOR DETECTING ACID AND BASE VAPOURS UNIVERSIDAD DE CASTILLA LA MANCHA (ES) 2023-12-21 WO disclosed