SCHEMBL4780960

SCHEMBL4780960

COCN(C(C)(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RORC P51449 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NR1I2 O75469 1/20 0.39
HTR6 P50406 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PSIP1 O75475 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL27908267 0.75 APOBEC3G (0.53) MAPK1APOBEC3GALDH1A1TDP1RORC
SCHEMBL756576 0.72 TDP1 (0.39) MAPK1APOBEC3GALDH1A1TDP1RORC
SCHEMBL12084059 0.71 APOBEC3G (0.52) APOBEC3GALDH1A1TDP1HTR6NR1H3
SCHEMBL14612610 0.70 TDP1 (0.46) MAPK1APOBEC3GTDP1RORCNR1I2
SCHEMBL13328880 0.70 APOBEC3G (0.50) APOBEC3GALDH1A1NR1I2HTR6NR1H2
SCHEMBL3279350 0.68 APOBEC3G (0.48) APOBEC3GALDH1A1TDP1NR1I2NR1H2
SCHEMBL9812438 0.68 APOBEC3G (0.48) APOBEC3GALDH1A1TDP1HTR6NR1H3
SCHEMBL26387747 0.68 APOBEC3G (0.48) APOBEC3GALDH1A1TDP1NR1I2HTR6
SCHEMBL6900015 0.68 APOBEC3G (0.59) APOBEC3GALDH1A1TDP1NR1I2HTR6
SCHEMBL6497006 0.68 MAPK1 (0.65) MAPK1ALDH1A1TDP1RORCNR1I2

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
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed