SCHEMBL5055281

SCHEMBL5055281

O=S(=O)(ON=Cc1cccc2ccccc12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
F2 P00734 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 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
SCHEMBL6728574 0.80 TSHR (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL212395 0.76 PLA2G7 (0.43) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL212394 0.76 PLA2G7 (0.43) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL28738093 0.71 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11644489 0.71 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13351469 0.71 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22041931 0.71 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14353372 0.71 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11644493 0.71 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Trifluoromethanesulfonic Acid SCHEMBL383623 0.69 ERN1 (0.42) 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
EP-1939688-A1 COMPOSITION FOR ANTIREFLECTION FILM FORMATION, COMPRISING PRODUCT OF REACTION BETWEEN ISOCYANURIC ACID COMPOUND AND BENZOIC ACID COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-07-02 EP disclosed