SCHEMBL5717136

SCHEMBL5717136

CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.79
ALDH1A1 P00352 6/20 0.78
SMN1; SMN2 Q16637 3/20 0.74
CYP2C19 P33261 1/20 0.74
NPC1 O15118 1/20 0.70
NR2F2 P24468 1/20 0.70
GAA P10253 2/20 0.69
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
TSHR P16473 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TP53 P04637 1/20 0.59
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58

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
SCHEMBL5717134 1.00 RAB9A (0.79) RAB9AALDH1A1SMN1; SMN2CYP2C19NPC1
SCHEMBL5717208 0.92 RAB9A (0.70) RAB9AALDH1A1SMN1; SMN2CYP2C19NPC1
SCHEMBL24072673 0.88 RAB9A (0.98) RAB9AALDH1A1SMN1; SMN2CYP2C19NPC1
SCHEMBL15362323 0.88 ALDH1A1 (1.00) RAB9AALDH1A1SMN1; SMN2CYP2C19NPC1
SCHEMBL5717137 0.86 RAB9A (0.57) RAB9AALDH1A1SMN1; SMN2CYP2C19NPC1
SCHEMBL5717141 0.86 RAB9A (0.57) RAB9AALDH1A1SMN1; SMN2CYP2C19NPC1
SCHEMBL5250351 0.85 RAB9A (0.84) RAB9AALDH1A1SMN1; SMN2CYP2C19NPC1
SCHEMBL24072134 0.85 ALDH1A1 (1.00) RAB9AALDH1A1SMN1; SMN2CYP2C19NPC1
SCHEMBL30292736 0.85 RAB9A (0.84) RAB9AALDH1A1SMN1; SMN2CYP2C19NPC1
SCHEMBL24071842 0.85 RAB9A (0.84) RAB9AALDH1A1SMN1; SMN2CYP2C19NPC1

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
EP-1664010-A1 SULFONAMIDES ANTAGONISING N-TYPE CALCIUM CHANNELS Vernalis (R&D) Limited (GB) 2006-06-07 EP disclosed
WO-2005068448-A1 SULFONAMIDES ANTAGONISING N-TYPE CALCIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-07-28 WO disclosed