SCHEMBL4453096

SCHEMBL4453096

C=CC(=O)N(C)c1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 1/20 0.51
BRD4 O60885 2/20 0.38
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CCNK O75909 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.33
JAK3 P52333 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL22554447 0.87 NPC1 (0.38) NPC1RAB9ALMNABRD4CCNK
SCHEMBL27547302 0.75 NPC1 (0.54) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
Acetic Acid SCHEMBL6571740 0.74 NPC1 (0.56) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29566424 0.73 NPC1 (0.51) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL299318 0.73 NPC1 (0.51) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL11609812 0.73 NPC1 (0.58) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL6535795 0.72 NPC1 (0.48) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL251422 0.72 NPC1 (0.61) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL11611277 0.72 NPC1 (0.57) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL7160226 0.71 NPC1 (0.49) NPC1RAB9ALMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256611-B1 Aqueous dispersion and coated product JSR CORP (JP) 2009-07-29 EP disclosed
US-20030073779-A1 Aqueous dispersion and coated product JSR CORPORATION (JP) 2003-04-17 US disclosed
EP-1256611-A2 Aqueous dispersion and coated product JSR Corporation (JP) 2002-11-13 EP disclosed