SCHEMBL14070976

SCHEMBL14070976

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 13/20 0.41
ATF1 P18846 12/20 0.41
XPO1 O14980 4/20 0.40
JUN P05412 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.34
CNR2 P34972 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
SCHEMBL8539891 0.81 NFKB1 (0.55) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL79014 0.81 NFKB1 (0.60) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL3066551 0.79 KDM4E (0.46) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL3441123 0.77 NFKB1 (0.40) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL29913514 0.76
SCHEMBL28480540 0.76
SCHEMBL8540300 0.76 KDM4E (0.40) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL3060847 0.74 NFKB1 (0.38) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL1550532 0.68 ADORA3 (0.42) KDM4E
SCHEMBL30328567 0.68 MBOAT4 (0.35)

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-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed