SCHEMBL286159

SCHEMBL286159

Cc1nc(CCc2c(-c3ccccn3)noc2C)sc1C(=O)OCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GABRA5 P31644 9/20 0.44
GLA P06280 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 3/20 0.37
ITGA5 P08648 2/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL285884 0.88 GABRA5 (0.54) LMNAGABRA5GLAALDH1A1KDM4E
SCHEMBL286497 0.88 GABRA5 (0.46) LMNAGABRA5GLAALDH1A1KDM4E
SCHEMBL285946 0.86 GABRA5 (0.47) LMNAGABRA5GLAALDH1A1KDM4E
SCHEMBL285782 0.85 GABRA5 (0.47) LMNAGABRA5GLAALDH1A1KDM4E
SCHEMBL285667 0.85 KDM4E (0.53) LMNAGABRA5GLAALDH1A1KDM4E
SCHEMBL286079 0.82 KDM4E (0.56) LMNAGABRA5ALDH1A1KDM4EITGA5
SCHEMBL286169 0.82 GABRA5 (0.56) LMNAGABRA5KDM4EITGA5GAA
SCHEMBL18091996 0.81 GABRA5 (0.46) LMNAGABRA5GLAALDH1A1KDM4E
SCHEMBL286063 0.81 KDM4E (0.44) LMNAGABRA5KDM4EITGA5KMT2A
SCHEMBL285707 0.79 GABRA5 (0.43) GABRA5KDM4EITGA5GAA

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