SCHEMBL11364992

SCHEMBL11364992

CCCCCCCCCCCN(c1ncccn1)S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
NR1I2 O75469 2/20 0.53
ALOX5 P09917 3/20 0.52
PTGES O14684 2/20 0.52
ESR1 P03372 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C18 P33260 1/20 0.46
ATM Q13315 1/20 0.43
ABCB1 P08183 1/20 0.41
C1R P00736 1/20 0.41

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
SCHEMBL11358377 1.00 TDP1 (0.54) TDP1NR1I2ALOX5PTGESESR1
SCHEMBL11355963 0.87 ALDH1A1 (0.60) TDP1NR1I2ALOX5PTGESESR1
SCHEMBL11458436 0.84 NR1I2 (0.47) TDP1NR1I2ALOX5PTGESESR1
SCHEMBL11471689 0.81 TSHR (0.50) TDP1NR1I2ALOX5PTGESESR1
SCHEMBL11472070 0.81 TSHR (0.50) TDP1NR1I2ALOX5PTGESESR1
SCHEMBL11468790 0.81 TSHR (0.50) TDP1NR1I2ALOX5PTGESESR1
SCHEMBL11478307 0.81 TSHR (0.50) TDP1NR1I2ALOX5PTGESESR1
SCHEMBL11472114 0.81 TSHR (0.50) TDP1NR1I2ALOX5PTGESESR1
SCHEMBL11467633 0.81 TSHR (0.50) TDP1NR1I2ALOX5PTGESESR1
SCHEMBL11473168 0.81 TSHR (0.50) TDP1NR1I2ALOX5PTGESESR1

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-4294965-A RECOVERING METALS FROM SOLUTIONS HENKEL CORPORATION (US) 1981-10-13 US claimed
US-4294965-A RECOVERING METALS FROM SOLUTIONS HENKEL CORPORATION (US) 1981-10-13 US disclosed
US-4210759-A STRIPPING METAL VALUES FROM HYDROCARBON SOLVENTS HENKEL CORPORATION (US) 1980-07-01 US disclosed