SCHEMBL2655832

SCHEMBL2655832

CCCCOC(=O)Nc1ncc(C=O)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
CYP1A2 P05177 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
STAT1 P42224 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
TSHR P16473 5/20 0.49
CSNK2A2 P19784 3/20 0.48
CSNK2A1 P68400 3/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.46
GLS O94925 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
SCHEMBL10176139 0.86 ALDH1A1 (0.48) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL2654505 0.81 L3MBTL1 (0.59) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL29353713 0.81 SMN1; SMN2 (0.64) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL10176144 0.80 SMN1; SMN2 (0.51) RAB9AALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL7508017 0.78 L3MBTL1 (0.47) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL12481786 0.78 TSHR (0.60) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL30184807 0.77 L3MBTL1 (0.54) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL13696381 0.76 CSNK2A2 (0.38) ALDH1A1SMN1; SMN2CSNK2A2CSNK2A1MAPK1
SCHEMBL20284274 0.76 SMN1; SMN2 (0.46) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL14195014 0.75 ALDH1A1 (0.53) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1

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-1907387-A1 AN OXIME DERIVATIVE AND PREPARATIONS THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-09 EP disclosed
WO-2007007886-A1 AN OXIME DERIVATIVE AND PREPARATIONS THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-18 WO disclosed