SCHEMBL8236980

SCHEMBL8236980

Cc1cc(OCC(=O)N2CCC(S(=O)(=O)Nc3ccccc3)CC2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GPR183 P32249 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 4/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
FKBP1A P62942 1/20 0.44
HPGD P15428 1/20 0.43
TP53 P04637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL66545 0.89 ALDH1A1 (0.48) ALDH1A1L3MBTL1GPR183MAPTKDM4E
SCHEMBL90762 0.87 GPR183 (0.52) ALDH1A1L3MBTL1GPR183RAB9AKMT2A
SCHEMBL65663 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTKDM4ERAB9A
SCHEMBL56480 0.76 SMN1; SMN2 (0.53) ALDH1A1L3MBTL1MAPTKDM4ERAB9A
SCHEMBL56987 0.76 KMT2A (0.51) ALDH1A1L3MBTL1GPR183KMT2AMEN1
SCHEMBL8243869 0.71 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1MAPTRAB9AKMT2A
SCHEMBL57050 0.70 KMT2A (0.47) ALDH1A1L3MBTL1GPR183MAPTRAB9A
SCHEMBL66082 0.70 ENPP2 (0.41) ALDH1A1L3MBTL1MAPTKDM4EKMT2A
SCHEMBL65760 0.70 SMN1; SMN2 (0.50) ALDH1A1L3MBTL1MAPTKDM4ERAB9A
SCHEMBL20989269 0.69 RAB9A (0.62) ALDH1A1L3MBTL1GPR183MAPTKDM4E

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-2007050522-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-03 WO disclosed