SCHEMBL28841129

SCHEMBL28841129

CCN(CCOS(=O)(=O)OCCN(CC)c1ccc(N)c(CN)c1)c1ccc(N)c(CN)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.41
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
PSMD14 O00487 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
GFER P55789 1/20 0.33
MEN1 O00255 2/20 0.30
HPGD P15428 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL28240269 0.90 S100B (0.39) S100BTDP1KDM4EALDH1A1L3MBTL1
SCHEMBL7868532 0.84 S100B (0.62) S100BTDP1KDM4EALDH1A1L3MBTL1
Sulfuric Acid SCHEMBL27558440 0.80 S100B (0.42) S100BTDP1KDM4EALDH1A1L3MBTL1
SCHEMBL27500216 0.78 S100B (0.38) S100BTDP1KDM4E
Water SCHEMBL9005430 0.77 ALDH1A1 (0.55) S100BTDP1KDM4EALDH1A1L3MBTL1
SCHEMBL27498414 0.77 S100B (0.47) S100BTDP1KDM4EALDH1A1L3MBTL1
SCHEMBL9114225 0.76 S100B (0.46) S100BTDP1KDM4EALDH1A1L3MBTL1
SCHEMBL9471716 0.75 S100B (0.45) S100BTDP1KDM4EALDH1A1L3MBTL1
SCHEMBL20163179 0.75 S100B (0.55) S100BTDP1KDM4EALDH1A1L3MBTL1
SCHEMBL17868871 0.74 S100B (0.59) S100BTDP1ALDH1A1L3MBTL1PSMD14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106512619-A Apparatus and method for removing industrial dust by using high-speed rotation suction process 江苏建筑职业技术学院 2017-03-22 CN claimed
CN-106512619-A Apparatus and method for removing industrial dust by using high-speed rotation suction process 江苏建筑职业技术学院 2017-03-22 CN disclosed