SCHEMBL6692597

SCHEMBL6692597

Nc1ccccc1/N=N/c1ccc(C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.67
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
GAA P10253 3/20 0.55
KMT2A Q03164 5/20 0.51
MAPT P10636 5/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
IDE P14735 1/20 0.50
MEN1 O00255 4/20 0.49
CD69 Q07108 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
RPS6KA3 P51812 1/20 0.46
GLO1 Q04760 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL30863757 1.00 TRPA1 (0.67) TRPA1NPC1RAB9AL3MBTL1GAA
SCHEMBL6692602 1.00 TRPA1 (0.67) TRPA1NPC1RAB9AL3MBTL1GAA
SCHEMBL28419977 0.82 CCNE2 (0.53) TRPA1NPC1RAB9AL3MBTL1GAA
SCHEMBL28419974 0.82 CCNE2 (0.53) TRPA1NPC1RAB9AL3MBTL1GAA
SCHEMBL6692609 0.81 TDP1 (0.60) TRPA1NPC1RAB9AL3MBTL1GAA
SCHEMBL29032673 0.81 TDP1 (0.60) TRPA1NPC1RAB9AL3MBTL1GAA
SCHEMBL3361521 0.81 TRPA1 (1.00) TRPA1NPC1RAB9AL3MBTL1GAA
SCHEMBL168297 0.81 TRPA1 (1.00) TRPA1NPC1RAB9AL3MBTL1GAA
SCHEMBL590787 0.81 NPC1 (0.76) TRPA1NPC1RAB9AL3MBTL1GAA
SCHEMBL384410 0.81 TRPA1 (1.00) TRPA1NPC1RAB9AL3MBTL1GAA

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-1472545-A2 FOLATE ASSAY AXIS-SHIELD ASA (NO) 2004-11-03 EP disclosed
WO-2003067263-A2 ASSAY AXIS-SHIELD ASA (NO) 2003-08-14 WO disclosed