SCHEMBL3629402

SCHEMBL3629402

CON=Cc1ccc(Cl)cc1C(N)=NC#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 4/20 0.35
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL3629398 1.00 KDM4E (0.37) KDM4EALDH1A1GAAMAPTGABRA1
SCHEMBL3629396 1.00 KDM4E (0.37) KDM4EALDH1A1GAAMAPTGABRA1
SCHEMBL3632088 0.76 MAPT (0.52) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL3632085 0.76 MAPT (0.52) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL3629401 0.75 ALDH1A1 (0.36) KDM4EALDH1A1GAAMAPTGABRA1
SCHEMBL8220455 0.70 MAPT (0.50) KDM4EALDH1A1GAAMAPTGABRA1
SCHEMBL10041862 0.70 MAPT (0.50) KDM4EALDH1A1GAAMAPTGABRA1
SCHEMBL10905376 0.67 KMT2A (0.55) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL10905375 0.67 KMT2A (0.55) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL12544257 0.62 KDM4E (0.56) KDM4EMAPTGABRA1GABRG2GABRB3

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 claimed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 WO claimed