SCHEMBL6681499

SCHEMBL6681499

C[S+]([O-])c1ccc(NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 5/20 0.45
KDM4E B2RXH2 1/20 0.45
MAP4K1 Q92918 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
FLT3 P36888 5/20 0.39
SYK P43405 1/20 0.37
TYRO3 Q06418 1/20 0.37
CDK2 P24941 2/20 0.36
NAMPT P43490 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL21909759 0.86 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6195935 0.85 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL2187619 0.84 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6632697 0.82 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL10187028 0.79 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL6198600 0.78 NPC1 (0.64) RAB9ANPC1SMN1; SMN2MAPTMAP4K1
SCHEMBL10187027 0.75 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6645881 0.74 ROCK2 (0.43) RAB9ANPC1MAPTKDM4E
SCHEMBL21376322 0.74 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL3206132 0.73 GSR (0.53) RAB9ANPC1KDM4ECDK2

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-1444207-A2 SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP disclosed
WO-2003024935-A2 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 WO disclosed