SCHEMBL8546804

SCHEMBL8546804

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 8/20 0.56
JUN P05412 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
XPO1 O14980 4/20 0.42
ASPH Q12797 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ATF1 P18846 7/20 0.40
KDM8 Q8N371 1/20 0.38
CNR2 P34972 1/20 0.37
HPGD P15428 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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 0.84 NFKB1 (0.55) NFKB1JUNNFKB2RELAXPO1
SCHEMBL9564859 0.81 XPO1 (0.46) NFKB1JUNNFKB2RELAXPO1
SCHEMBL8544671 0.81 XPO1 (0.42) NFKB1JUNNFKB2RELAXPO1
SCHEMBL480176 0.80 XPO1 (0.62) NFKB1JUNNFKB2RELAXPO1
SCHEMBL2118779 0.80 KDM4E (0.47) NFKB1JUNNFKB2RELAXPO1
SCHEMBL4888133 0.80 KDM4E (0.61) NFKB1JUNNFKB2RELAXPO1
SCHEMBL2352666 0.77 XPO1 (0.40) NFKB1JUNNFKB2RELAXPO1
SCHEMBL25398005 0.76 LMNA (0.55) NFKB1XPO1ASPHKDM4EATF1
SCHEMBL8542943 0.76 KDM4E (0.40) NFKB1JUNNFKB2RELAXPO1
SCHEMBL1760025 0.76 NFKB1 (0.44) NFKB1JUNNFKB2RELAXPO1

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 3 patents. 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 disclosed
EP-0850228-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-07-01 EP disclosed
WO-1997009315-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed