SCHEMBL3629919

SCHEMBL3629919

COc1ccccc1C(N)=NC#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CTSD P07339 1/20 0.45
NPC1 O15118 4/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.39
STAT3 P40763 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3629916 1.00 POLB (0.50) POLBSMN1; SMN2RAB9AHPGDL3MBTL1
SCHEMBL5342926 0.78 POLB (0.57) POLBSMN1; SMN2RAB9AHPGDL3MBTL1
SCHEMBL105257 0.78 GAA (0.61) SMN1; SMN2RAB9AHPGDL3MBTL1CA1
SCHEMBL5342930 0.78 POLB (0.57) POLBSMN1; SMN2RAB9AHPGDL3MBTL1
SCHEMBL105256 0.78 GAA (0.61) SMN1; SMN2RAB9AHPGDL3MBTL1CA1
SCHEMBL23879961 0.78 GAA (0.61) SMN1; SMN2RAB9AHPGDL3MBTL1CA1
SCHEMBL3632088 0.78 MAPT (0.52) POLBSMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3632085 0.78 MAPT (0.52) POLBSMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL16469275 0.75 NOS3 (0.53) SMN1; SMN2RAB9AHPGDL3MBTL1CA1
1,2-Dimethoxybenzene SCHEMBL28616635 0.74 CA1 (0.72) POLBSMN1; SMN2HPGDL3MBTL1CA1

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