SCHEMBL13484398

SCHEMBL13484398

CCC(CC)c1nc(C)c(C)o1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13744530 0.80
SCHEMBL11445494 0.74
SCHEMBL2600750 0.73 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL7350740 0.70
SCHEMBL7350745 0.70
SCHEMBL5565094 0.67
SCHEMBL26247534 0.67 KDM4E (0.35) KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL11455599 0.65
SCHEMBL13566377 0.64
SCHEMBL10193024 0.64 MAPT (0.33) SMN1; SMN2

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
US-7662971-B2 enzyme inhibitor for treating sleep disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-16 US disclosed