SCHEMBL7842768

SCHEMBL7842768

NC(=O)C1COC([N+](=O)[O-])COCCOCCOc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NISCH Q9Y2I1 1/20 0.41
LMNA P02545 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
HTT P42858 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.39
SIRT1 Q96EB6 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4785677 0.85 SMN1; SMN2 (0.53) SMN1; SMN2GAANISCHLMNACRHBP
SCHEMBL5279172 0.84 SMN1; SMN2 (0.44) SMN1; SMN2GAANPC1RAB9ANISCH
SCHEMBL1134762 0.82 SMN1; SMN2 (0.53) SMN1; SMN2GAANPC1RAB9ALMNA
SCHEMBL4452603 0.82 SMN1; SMN2 (0.53) SMN1; SMN2GAANPC1RAB9ALMNA
SCHEMBL30946854 0.73 NISCH (0.71) SMN1; SMN2NPC1RAB9ANISCHHTT
SCHEMBL2977327 0.73 NISCH (0.71) SMN1; SMN2NPC1RAB9ANISCHHTT
SCHEMBL8487833 0.72 SMN1; SMN2 (0.59) SMN1; SMN2GAANPC1RAB9ALMNA
SCHEMBL11788057 0.72 SMN1; SMN2 (0.59) SMN1; SMN2GAANPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL11099585 0.71 NISCH (0.69) SMN1; SMN2NPC1RAB9ANISCHHTT
Hydrochloric Acid SCHEMBL17845907 0.71 NISCH (0.69) SMN1; SMN2NPC1RAB9ANISCHHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO disclosed