SCHEMBL27515313

SCHEMBL27515313

CCCCS(=O)(=O)O.C[N+](C)(C)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
DNM1 Q05193 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 2/20 0.44
AR P10275 1/20 0.39
ESR1 P03372 1/20 0.38
HPGD P15428 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
LTA4H P09960 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL330839 0.90 KDM4E (0.57) TDP1KDM4EALDH1A1DNM1MEN1
SCHEMBL330945 0.86 KDM4E (0.65) TDP1KDM4EALDH1A1DNM1MEN1
Sulfuric Acid SCHEMBL229800 0.82 KDM4E (0.71) TDP1KDM4EALDH1A1DNM1MEN1
SCHEMBL332135 0.81 ALDH1A1 (0.68) TDP1KDM4EALDH1A1MEN1KMT2A
Sulfuric Acid SCHEMBL7637641 0.81 KDM4E (0.68) TDP1KDM4EALDH1A1DNM1MEN1
SCHEMBL27482397 0.80 APOBEC3A (0.47) TDP1ALDH1A1HTTARS1PR2
SCHEMBL6938340 0.80 TSHR (0.59) TDP1KDM4EALDH1A1SMN1; SMN2HTT
Sulfuric Acid SCHEMBL229801 0.79 KDM4E (0.65) TDP1KDM4EALDH1A1DNM1SMN1; SMN2
Thiosulfuric Acid SCHEMBL8424194 0.79 KDM4E (0.65) TDP1KDM4EALDH1A1DNM1MEN1
Biphenyl SCHEMBL27692896 0.79 HPGD (0.43) TDP1SMN1; SMN2HPGDMMP9GAA

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-1152913-C Antistatic agent 2004-06-09 CN disclosed
CN-1370200-A Antistatic agent BAYER AG (DE) 2002-09-18 CN disclosed