SCHEMBL22780906

SCHEMBL22780906

CC(C)C(C)S(=O)(=O)n1ccc2c(Br)ccnc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.36
GAA P10253 3/20 0.36
SI P14410 3/20 0.36
MGAM2 Q2M2H8 3/20 0.36
AMY1A P0DUB6 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22780825 1.00 MGAM (0.36) MGAMGAASIMGAM2AMY1A
SCHEMBL17160481 0.80 HTR6 (0.41) MGAMGAASIMGAM2AMY1A
SCHEMBL18552968 0.79 MGAM (0.34) MGAMGAASIMGAM2
SCHEMBL1354366 0.73 L3MBTL1 (0.59) L3MBTL1
SCHEMBL30081932 0.73 L3MBTL1 (0.59) L3MBTL1
SCHEMBL29941031 0.72 CYP2C19 (0.58) L3MBTL1
SCHEMBL457569 0.72 CYP2C19 (0.58) L3MBTL1
SCHEMBL15647165 0.71 HTR6 (0.44) MGAMGAASIMGAM2AMY1A
SCHEMBL29660466 0.68 MGAM (0.34) MGAMGAASIMGAM2
SCHEMBL794853 0.68 MGAM (0.34) MGAMGAASIMGAM2

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
EP-3129372-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-12-16 EP disclosed