SCHEMBL687793

SCHEMBL687793

CCOC(=O)Oc1ccc2sc(-c3c(C)n[nH]c3N)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ILK Q13418 17/20 0.49
CA2 P00918 2/20 0.47
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL687029 0.83 ILK (0.49) ILKNPC1PKMNFKB1RAB9A
SCHEMBL686489 0.81 ILK (0.72) ILKNPC1RAB9A
SCHEMBL687221 0.78 ILK (0.53) ILKCA2
SCHEMBL686934 0.76 ILK (0.70) ILKCA2NPC1RAB9A
SCHEMBL687102 0.75 ILK (0.72) ILK
SCHEMBL686453 0.74 ILK (0.70) ILK
SCHEMBL687608 0.73 ILK (0.55) ILK
SCHEMBL7163781 0.72 CA2 (0.51) CA2NPC1PKMNFKB1RAB9A
SCHEMBL686809 0.71 ILK (0.72) ILK
SCHEMBL2165867 0.71 ILK (0.72) ILKNPC1NFKB1RAB9ANFKB2

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-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 EP claimed