SCHEMBL27843545

SCHEMBL27843545

CC(O)CCOc1ncncn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.33
CSNK2A1 P68400 3/20 0.32
LMNA P02545 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
CYP19A1 P11511 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29042656 0.79 LMNA (0.45) LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL16752109 0.76
SCHEMBL27890125 0.74 CYP19A1 (0.36) LMNAIRAK4CYP19A1KDM4EALDH1A1
SCHEMBL4919744 0.72 CYP2D6 (0.35) ACACBLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL27621001 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL27894315 0.71 TSHR (0.33) ACACB
SCHEMBL27891190 0.71 CYP19A1 (0.46) ACACBLMNACYP19A1SMN1; SMN2
SCHEMBL9934412 0.71
SCHEMBL9935212 0.71
SCHEMBL4924806 0.70 CYP2D6 (0.46) LMNACYP19A1KDM4EALDH1A1SMN1; 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
CN-102250026-A Synthesis method of 2,4,6-tris(2,4-dihydroxyphenyl)-1,3,5-triazine ZHEJIANG CHANGSHAN KERUN CHEMICALS CO LTD 2011-11-23 CN disclosed