SCHEMBL28109604

SCHEMBL28109604

O=C(O)OC1=NCCS1.[CaH2]

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
ALOX12 P18054 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 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
SCHEMBL9199173 0.98
Di(Hydroxyethyl)Ether SCHEMBL28085088 0.84 TSHR (0.32) SMN1; SMN2LMNAMAPTHPGDALDH1A1
SCHEMBL27445735 0.83 LMNA (0.36) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL27263283 0.79
SCHEMBL28148120 0.79 LMNA (0.34) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL27678339 0.79
SCHEMBL27333836 0.79 LMNA (0.34) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL27259920 0.78 HPGD (0.37) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL27482160 0.78 LMNA (0.37) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL27692796 0.78 MAPT (0.35) SMN1; SMN2LMNANPC1RAB9AMAPT

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-106147087-A A kind of automobile dustproof applies mechanically gum filler 安徽微威胶件集团有限公司 2016-11-23 CN disclosed