SCHEMBL285588

SCHEMBL285588

CCCCc1noc(C)c1CCc1nc(C)c(C(=O)OC(C)C(N)=O)s1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL286243 1.00 KMT2A (0.41) KMT2AL3MBTL1ALDH1A1GLATSHR
SCHEMBL286082 1.00 KMT2A (0.41) KMT2AL3MBTL1ALDH1A1GLATSHR
SCHEMBL285936 0.90 L3MBTL1 (0.32) KMT2AL3MBTL1ALDH1A1GLATSHR
SCHEMBL285984 0.86 POLB (0.43) KMT2AL3MBTL1ALDH1A1GLATSHR
SCHEMBL286186 0.84 L3MBTL1 (0.37) L3MBTL1ALDH1A1GLAPOLB
SCHEMBL285957 0.83 ALDH1A1 (0.38) L3MBTL1ALDH1A1GLATSHR
SCHEMBL285698 0.82 KMT2A (0.39) KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL286470 0.82 KMT2A (0.39) KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL285997 0.80 KMT2A (0.36) KMT2ATSHRPOLB
SCHEMBL285587 0.79 ZAP70 (0.35) L3MBTL1ALDH1A1

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-2427459-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed