SCHEMBL15212073

SCHEMBL15212073

CCCC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.NP(O)(O)=S

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.58
KCNH2 Q12809 1/20 0.58
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL15212173 0.88 KIF11 (0.68) KIF11KCNH2ALDH1A1MEN1KMT2A
SCHEMBL28076876 0.79 KIF11 (0.55) KIF11KCNH2ALDH1A1MEN1KMT2A
SCHEMBL7706703 0.79 KIF11 (0.73) KIF11KCNH2ALDH1A1MEN1KMT2A
SCHEMBL10877618 0.79 KIF11 (0.73) KIF11KCNH2ALDH1A1MEN1KMT2A
SCHEMBL28076878 0.79 KIF11 (0.55) KIF11KCNH2ALDH1A1MEN1KMT2A
SCHEMBL28515838 0.77 KIF11 (0.66) KIF11KCNH2KMT2ALMNAHTT
SCHEMBL5058831 0.77 KIF11 (0.66) KIF11KCNH2KMT2ALMNAHTT
SCHEMBL13060384 0.74 KIF11 (0.62) KIF11KCNH2LMNAHTTSMN1; SMN2
SCHEMBL462675 0.74 KIF11 (0.62) KIF11KCNH2LMNAHTTSMN1; SMN2
SCHEMBL22150730 0.74 KIF11 (0.71) KIF11KCNH2LMNAHTTSMN1; 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
WO-2013126034-A1 SYNTHESIS OF HIGH PURITY DMT-C3-DISULFIDE PHOSPHORAMIDITE CHEMGENES CORPORATION (US) 2013-08-29 WO disclosed