SCHEMBL21973442

SCHEMBL21973442

CN(C)c1nnc(C(F)(F)F)o1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.35
HDAC6 Q9UBN7 2/20 0.33

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
SCHEMBL1829308 0.74 EPHX2 (0.45) EPHX2HDAC6
SCHEMBL10202700 0.69 EPHX2 (0.38) EPHX2HDAC6
SCHEMBL3332193 0.69 EPHX2 (0.38) NOTUMEPHX2HDAC6
SCHEMBL18760057 0.67 HDAC6 (0.47) EPHX2HDAC6
SCHEMBL22990454 0.65
SCHEMBL9963212 0.64 ALDH1A1 (0.36) ALDH1A1EPHX2HDAC6
SCHEMBL31214294 0.64 KDM4E (0.44) NOTUMKDM4EALDH1A1EPHX2HDAC6
SCHEMBL18010984 0.64 EPHX2 (0.35) EPHX2HDAC6
SCHEMBL27259964 0.64
SCHEMBL12976224 0.64 EPHX2 (0.38) EPHX2HDAC6

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-3288936-B1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-06 EP disclosed