SCHEMBL18575488

SCHEMBL18575488

CC(C)(C)N(c1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.55
CCR9 P51686 5/20 0.51
CCR2 P41597 1/20 0.51
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
LMNA P02545 2/20 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
SCHEMBL10248530 0.73 CCR9 (0.77) CCR9CCR2LMNAHTTALDH1A1
SCHEMBL11181058 0.71 C5AR1 (1.00) C5AR1CCR9GABRPGABRDGABRA1
SCHEMBL14319951 0.70 C5AR1 (0.81) C5AR1GABRPGABRDGABRA1GABRB1
SCHEMBL11309965 0.70 C5AR1 (0.56) C5AR1GABRPGABRDGABRA1GABRB1
SCHEMBL8989941 0.69 C5AR1 (0.53) C5AR1GABRPGABRDGABRA1GABRB1
SCHEMBL368249 0.69 RECQL (0.54) CCR9CCR2MAPTSMN1; SMN2
Vercirnon SCHEMBL342225 0.67 CCR9 (1.00) CCR9CCR2LMNAHTTMAPT
Vercirnon SCHEMBL15766988 0.67 CCR9 (0.98) CCR9CCR2LMNAHTTMAPT
Vercirnon Sodium SCHEMBL30432616 0.67 CCR9 (0.64) CCR9CCR2LMNAHTTSMN1; SMN2
SCHEMBL10252607 0.66 CCR9 (0.61) CCR9CCR2LMNAHTTALDH1A1

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
EP-2748146-B1 A CRYSTALLINE FORM OF THE SODIUM SALT OF 4-TERT-BUTYL-N-[4-CHLORO-2-(1-OXY-PYRIDINE-4-CARBONYL)-PHENYL]-BENZENE SULFONAMIDE CHEMOCENTRYX INC (US) 2017-03-08 EP disclosed