SCHEMBL3629922

SCHEMBL3629922

COc1ccccc1C(=N)NC#N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
STAT3 P40763 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CTSD P07339 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL11702189 0.79 CTSD (0.53) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL2775341 0.78 LMNA (0.51) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL6883987 0.78 LMNA (0.51) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL3632093 0.78 LMNA (0.48) LMNANPC1RAB9AL3MBTL1GAA
SCHEMBL14621976 0.77 CTSD (0.53) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL6951987 0.77 CTSD (0.62) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL27607926 0.77 CA1 (0.44) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL5342931 0.77 HPGD (0.38) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL16469273 0.75 L3MBTL1 (0.46) LMNASTAT3NPC1RAB9ASMN1; SMN2
SCHEMBL21163469 0.75 LMNA (0.53) LMNASTAT3NPC1RAB9ACTSD

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-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 EP disclosed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 WO disclosed