SCHEMBL6664801

SCHEMBL6664801

Nc1ccccc1C=NN=Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GRIN2D O15399 3/20 0.48
GRIN3B O60391 3/20 0.48
GRIN1 Q05586 3/20 0.48
GRIN2A Q12879 3/20 0.48
GRIN2B Q13224 3/20 0.48
GRIN2C Q14957 3/20 0.48
GRIN3A Q8TCU5 3/20 0.48
TAAR1 Q96RJ0 1/20 0.48
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
RRM1 P23921 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 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
SCHEMBL29213057 0.89 ALOX15 (0.45) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL866768 0.89 ALOX15 (0.45) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL866769 0.89 ALOX15 (0.45) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL24117294 0.81 ALDH1A1 (0.68) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL1130162 0.79 LMNA (1.00) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL396304 0.79 LMNA (1.00) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL1119267 0.79 LMNA (1.00) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL3748231 0.75 RAB9A (0.67) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL23440039 0.75 RAB9A (0.67) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL6681380 0.75 LMNA (0.62) LMNAL3MBTL1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2004009869-A2 CORROSION-INHIBITING COATING FOR METAL SURFACES UNIVERSITY OF DAYTON (US) 2004-01-29 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed