SCHEMBL23976247

SCHEMBL23976247

CC(C)Cc1cc(N(C)C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CHRM5 P08912 1/20 0.39
CHKA P35790 1/20 0.39
ADK P55263 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TERT O14746 1/20 0.34
APP P05067 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34

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
SCHEMBL9480589 0.79 KDM4E (0.47) SIRT2KDM4EALDH1A1CHRM5CHKA
SCHEMBL16574997 0.77 SIRT2 (0.50) SIRT2KDM4EALDH1A1CHRM5CHKA
SCHEMBL28092708 0.77 SIRT2 (0.31) SIRT2
SCHEMBL29907776 0.77 KDM4E (0.46) SIRT2KDM4EALDH1A1CHRM5CHKA
SCHEMBL4308808 0.77 ALDH1A1 (0.50) SIRT2KDM4EALDH1A1CHRM5CHKA
SCHEMBL23030316 0.77 SIRT2 (0.36) SIRT2KDM4EALDH1A1CHRM5CHKA
SCHEMBL15211555 0.77 KDM4E (0.46) SIRT2KDM4EALDH1A1CHRM5CHKA
SCHEMBL15212887 0.77 KDM4E (0.46) SIRT2KDM4EALDH1A1CHRM5CHKA
SCHEMBL31182983 0.77 KDM4E (0.46) SIRT2KDM4EALDH1A1CHRM5CHKA
SCHEMBL20197470 0.77 NOS3 (0.35) KDM4EALDH1A1

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
WO-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed