SCHEMBL19439620

SCHEMBL19439620

COC(=O)c1cccc(/C=N/CC/N=C/c2cccc(C(=O)OC)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.62
GRIN3B O60391 1/20 0.62
GRIN1 Q05586 1/20 0.62
GRIN2A Q12879 1/20 0.62
GRIN2B Q13224 1/20 0.62
GRIN2C Q14957 1/20 0.62
GRIN3A Q8TCU5 1/20 0.62
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
P4HB P07237 4/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL19439621 0.93 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL935770 0.84 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16590390 0.84 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL935771 0.84 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20861813 0.83 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19439618 0.80 ALDH1A1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19300876 0.80 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4407110 0.80 P4HB (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11456160 0.80 P4HB (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11222093 0.80 P4HB (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017167638-A1 NON-AQUEOUS ELECTROLYTES AND USES THEREOF SONY CORPORATION (JP) 2017-10-05 WO disclosed