SCHEMBL5716992

SCHEMBL5716992

CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 10/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
CYP2C19 P33261 1/20 0.58
TSHR P16473 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RCE1 Q9Y256 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.55
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.53
NR2F2 P24468 1/20 0.53

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
SCHEMBL5717158 1.00 RAB9A (0.61) RAB9AALDH1A1KMT2AMEN1CYP2C19
SCHEMBL5717126 0.89 ALDH1A1 (0.59) RAB9AALDH1A1KMT2AMEN1CYP2C19
SCHEMBL5717058 0.88 HCRTR1 (0.50) RAB9AALDH1A1KMT2AMEN1TSHR
SCHEMBL5717060 0.88 HCRTR1 (0.50) RAB9AALDH1A1KMT2AMEN1TSHR
SCHEMBL5244455 0.85 TSHR (0.53) ALDH1A1KMT2AMEN1TSHRHTT
SCHEMBL5717134 0.84 RAB9A (0.79) RAB9AALDH1A1KMT2AMEN1CYP2C19
SCHEMBL5717136 0.84 RAB9A (0.79) RAB9AALDH1A1KMT2AMEN1CYP2C19
SCHEMBL1712952 0.84 CYP2C19 (0.73) RAB9AALDH1A1KMT2AMEN1CYP2C19
SCHEMBL5245725 0.84 CYP2C19 (0.73) RAB9AALDH1A1KMT2AMEN1CYP2C19
SCHEMBL5717002 0.80 HCRTR1 (0.62) ALDH1A1KMT2AMEN1TSHRKDM4E

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