SCHEMBL8281060

SCHEMBL8281060

C=C(Cl)c1cnc(Cl)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 17/20 0.52
▸ ATF1 P18846 13/20 0.52
▸ XPO1 O14980 5/20 0.51
▸ JUN P05412 5/20 0.50
▸ NFKB2 Q00653 5/20 0.50
▸ RELA Q04206 5/20 0.50

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
SCHEMBL79014 0.82 NFKB1 (0.60) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL480176 0.79 XPO1 (0.62) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL9564861 0.77 NFKB1 (0.58) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL8518174 0.77 NFKB1 (0.62) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL17315283 0.77 NFKB1 (0.58) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL9564875 0.76 NFKB1 (0.57) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL15290081 0.73 NFKB1 (0.56) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL473934 0.73 ATF1 (0.62) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL27853425 0.73 NFKB1 (0.43) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL20839631 0.72 NFKB1 (0.46) NFKB1ATF1XPO1JUNNFKB2

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-2005074939-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2005-08-18 — — WO disclosed
Send feedback