SCHEMBL28122016

SCHEMBL28122016

CC(C)Oc1ncnc(N(N)C(=O)NN)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACACB O00763 4/20 0.32
ACACA Q13085 1/20 0.32
MAP3K7 O43318 2/20 0.31
TAB1 Q15750 2/20 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
SCHEMBL28844151 0.78 MEN1 (0.39) MEN1KMT2AACACB
SCHEMBL28091717 0.76 KDM4E (0.32)
SCHEMBL28784750 0.74
SCHEMBL27489014 0.74 MAPT (0.40) ACACBMAP3K7TAB1
SCHEMBL27884312 0.72 KDM4E (0.33) MEN1KMT2A
SCHEMBL27523363 0.70 P2RX7 (0.39)
SCHEMBL27615135 0.70
SCHEMBL28112158 0.69 KDM4E (0.33) KMT2A
SCHEMBL28167498 0.69 KDM4E (0.33)
SCHEMBL27461055 0.68 MEN1 (0.37) MEN1KMT2A

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-104072803-B Phosphate flame retardant and preparation method thereof 成都硕屋科技有限公司 2017-01-11 CN disclosed