SCHEMBL8566786

SCHEMBL8566786

Cc1nc(Cl)nc(Cl)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JUN P05412 11/20 0.64
NFKB1 P19838 11/20 0.64
NFKB2 Q00653 11/20 0.64
RELA Q04206 11/20 0.64
XPO1 O14980 3/20 0.64
ATF1 P18846 1/20 0.52
TLR7 Q9NYK1 1/20 0.51
P2RX1 P51575 5/20 0.50
IKBKB O14920 2/20 0.49
TMPRSS4 Q9NRS4 3/20 0.46
P2RX4 Q99571 2/20 0.46
P2RX7 Q99572 2/20 0.46
MEN1 O00255 1/20 0.46
CHUK O15111 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
KMT2A Q03164 1/20 0.46
MYLK Q15746 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46

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
SCHEMBL24574900 0.76 P2RX1 (0.59) JUNNFKB1NFKB2RELAXPO1
SCHEMBL8561758 0.75 NFKB1 (1.00) JUNNFKB1NFKB2RELAXPO1
SCHEMBL12189407 0.71 TLR7 (0.57) JUNNFKB1NFKB2RELAXPO1
SCHEMBL26786131 0.70 JUN (0.59) JUNNFKB1NFKB2RELAXPO1
SCHEMBL17448400 0.70 P2RX1 (0.63) JUNNFKB1NFKB2RELAXPO1
SCHEMBL14885884 0.69 P2RX1 (0.66) JUNNFKB1NFKB2RELAXPO1
SCHEMBL458841 0.68 NFKB1 (1.00) JUNNFKB1NFKB2RELAXPO1
SCHEMBL12172968 0.68 TLR7 (0.48) JUNNFKB1NFKB2RELAXPO1
SCHEMBL30554609 0.68 P2RX1 (0.51) JUNNFKB1NFKB2RELAXPO1
SCHEMBL3241964 0.68 P2RX1 (0.51) JUNNFKB1NFKB2RELAXPO1

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
US-5811428-A ADMINISTERING FOR THE TREATMENT AND PREVENTION OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-22 US claimed