SCHEMBL3640416

SCHEMBL3640416

NC(=O)c1cc(C(N)=O)cc(-c2ncco2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.50
GLRB P48167 1/20 0.50
HPGDS O60760 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
DHODH Q02127 3/20 0.39
BRD4 O60885 1/20 0.37
HDAC4 P56524 1/20 0.37
LTA4H P09960 3/20 0.37
MYC P01106 1/20 0.36
CDC7 O00311 1/20 0.36
MAP4K4 O95819 2/20 0.36
PRKCI P41743 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
CFTR P13569 1/20 0.35
KDM4B O94953 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
PRKD3 O94806 1/20 0.33

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
SCHEMBL3353484 0.88 GLRA3 (0.45) GLRA3GLRBHPGDSMKNK1MKNK2
SCHEMBL3347776 0.88 GLRA3 (0.48) GLRA3GLRBHPGDSMKNK1MKNK2
SCHEMBL6573037 0.83 PRKCI (0.50) GLRA3GLRBHPGDSPRKCI
SCHEMBL5789925 0.82 MKNK2 (0.51) HPGDSMKNK1MKNK2HDAC4LTA4H
SCHEMBL475724 0.78 GLRA3 (0.77) GLRA3GLRBHPGDSBRD4HDAC4
SCHEMBL3347772 0.78 GLRA3 (0.44) GLRA3GLRBHPGDSMKNK1MKNK2
SCHEMBL20256885 0.77 GLRA3 (0.49) GLRA3GLRBHPGDSBRD4HDAC4
SCHEMBL3940103 0.77 GLRA3 (0.46) GLRA3GLRBHPGDSBRD4HDAC4
SCHEMBL15131324 0.77 GLRA3 (0.46) GLRA3GLRBHPGDSDHODHBRD4
SCHEMBL2712687 0.76 KDM5C (0.51) MKNK1MKNK2MAP4K4PRKCIKDM4B

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-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 EP disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO disclosed