SCHEMBL285946

SCHEMBL285946

Cc1nc(CCc2c(-c3ccc(F)cn3)noc2C)sc1C(=O)OCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 15/20 0.47
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.35

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
SCHEMBL285655 0.88 GABRA5 (0.56) GABRA5ALDH1A1LMNA
SCHEMBL286159 0.86 LMNA (0.47) GABRA5ALDH1A1KDM4ELMNAGLA
SCHEMBL286176 0.86 GABRA5 (0.49) GABRA5
SCHEMBL286230 0.85 GABRA5 (0.53) GABRA5ALDH1A1KDM4EGLA
SCHEMBL286205 0.83 GABRA5 (0.47) GABRA5ALDH1A1KDM4E
SCHEMBL285762 0.82 GABRA5 (0.50) GABRA5
SCHEMBL285848 0.81 GABRA5 (0.56) GABRA5KDM4E
SCHEMBL285752 0.80 GABRA5 (0.58) GABRA5KDM4E
SCHEMBL285763 0.80 GABRA5 (0.49) GABRA5KDM4E
SCHEMBL285944 0.79 GABRA5 (0.59) GABRA5

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