SCHEMBL11081053

SCHEMBL11081053

CCCCN(CCCCS(=O)(=O)O)c1ccc(N)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.50
SKP2 Q13309 1/20 0.39
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
CNR2 P34972 4/20 0.36
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35
THRB P10828 2/20 0.34
AR P10275 1/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
GRK2 P25098 1/20 0.33
DNMT1 P26358 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
ESR1 P03372 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL11229661 0.96 S100B (0.51) S100BSKP2POLBALDH1A1KDM4E
SCHEMBL11523380 0.94 S100B (0.49) S100BSKP2POLBALDH1A1KDM4E
SCHEMBL11219468 0.91 S100B (0.51) S100BSKP2POLBALDH1A1KDM4E
SCHEMBL8069995 0.91 S100B (0.59) S100BSKP2POLBALDH1A1KDM4E
SCHEMBL17364489 0.87 S100B (0.60) S100BSKP2POLBALDH1A1KDM4E
Sulfuric Acid SCHEMBL8604579 0.83 S100B (0.59) S100BSKP2POLBKDM4ECNR2
SCHEMBL5167109 0.82 ALDH1A1 (0.43) POLBALDH1A1KDM4EGAACNR2
SCHEMBL19980899 0.82 S100B (0.64) S100BSKP2POLBALDH1A1KDM4E
SCHEMBL15244176 0.82 S100B (0.64) S100BSKP2POLBALDH1A1KDM4E
SCHEMBL13422458 0.82 S100B (0.64) S100BSKP2POLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4438195-A BOUND TO ION EXCHANGER AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed
US-4322492-A Process for the development of color photographic images with p-dialkylaminoaniline color developers AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1982-03-30 US disclosed
US-3941601-A 2-CYCLOPENTYL-4-TERT-BUTYL-PHENOXY GROUP AGFA-GEVAERT, A.G. (DT) 1976-03-02 US disclosed