SCHEMBL18092020

SCHEMBL18092020

Cc1nc(CCc2conc2-c2ccccn2)sc1OC(=O)NCC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 12/20 0.51
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL285790 0.85 GABRA5 (0.55) GABRA5KDM4EGAALMNAKMT2A
SCHEMBL18092051 0.85 GABRA5 (0.53) GABRA5
SCHEMBL18092024 0.81 GABRA5 (0.52) GABRA5KDM4E
SCHEMBL285907 0.78 LMNA (0.46) GABRA5KDM4EGAALMNAKMT2A
SCHEMBL286089 0.76 KDM4E (0.53) GABRA5KDM4EGAALMNAKMT2A
SCHEMBL18091981 0.74 GABRA5 (0.44) GABRA5LMNAALDH1A1
SCHEMBL18092033 0.73 GABRA5 (0.43) GABRA5ALDH1A1
SCHEMBL18092056 0.73 GABRA5 (0.55) GABRA5
SCHEMBL18092019 0.72 GABRA5 (0.45) GABRA5KDM4EGAALMNAKMT2A
SCHEMBL18092026 0.71 GABRA5 (0.57) 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-B1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2016-09-28 EP claimed