SCHEMBL286104

SCHEMBL286104

Cc1onc(-c2ccccc2)c1C=Cc1ncc(C(=O)OCC(N)=O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HDAC6 Q9UBN7 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HDAC1 Q13547 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL285991 0.90 CACNA1F (0.47) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL285992 0.90 CACNA1F (0.47) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL285892 0.84 KMT2A (0.41) POLBMEN1GAAKMT2AL3MBTL1
SCHEMBL286234 0.83 HDAC6 (0.45) POLBMEN1GAAKMT2AL3MBTL1
SCHEMBL286233 0.83 HDAC6 (0.45) POLBMEN1GAAKMT2AL3MBTL1
SCHEMBL286049 0.83 GABRA5 (0.43) GAAALDH1A1NPC1
SCHEMBL286183 0.83 POLB (0.44) POLBALOX15TSHRMAPK1MEN1
SCHEMBL285730 0.81 GABRA5 (0.48) POLBMEN1KMT2AL3MBTL1HDAC6
SCHEMBL2749573 0.81 GABRA5 (0.48) POLBMEN1KMT2AL3MBTL1HDAC6
SCHEMBL286248 0.79 GABRA5 (0.51)

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