SCHEMBL8398359

SCHEMBL8398359

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 6/20 0.43
JUN P05412 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
ASPH Q12797 2/20 0.37
XPO1 O14980 3/20 0.35
HPGD P15428 2/20 0.33
ATF1 P18846 4/20 0.33
KDM4E B2RXH2 2/20 0.33
KDM8 Q8N371 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32

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
SCHEMBL9564859 0.86 XPO1 (0.46) NFKB1JUNNFKB2RELAASPH
SCHEMBL13365032 0.83 NFKB1 (0.40) NFKB1JUNNFKB2RELAASPH
SCHEMBL9564907 0.79 HPGD (0.39) ASPHHPGDKDM4EKDM8KMT2A
SCHEMBL8396937 0.78 KDM4E (0.41) NFKB1JUNNFKB2RELAASPH
SCHEMBL8394555 0.77 KDM4E (0.58) NFKB1JUNNFKB2RELAATF1
SCHEMBL2352666 0.75 XPO1 (0.40) NFKB1JUNNFKB2RELAASPH
SCHEMBL152156 0.71 HPGD (0.40) ASPHHPGDKDM4EKDM8KMT2A
SCHEMBL9565080 0.70 NFKB1 (0.42) NFKB1JUNNFKB2RELAXPO1
Hydrochloric Acid SCHEMBL11591950 0.70 HPGD (0.39) ASPHHPGDKDM4EKDM8KMT2A
Water SCHEMBL2745045 0.70 HPGD (0.39) ASPHHPGDKDM4EKDM8KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935966-A COMPOUNDS THAT BLOCK THE ACTIVATION OF TRANSCRIPTION FACTORS THROUGH INHIBITION OF A FAMILY OF SPECIFIC KINASES, DECREASING PROINFLAMMATORY PROTEINS TO TREAT AUTOIMMUNE DISEASES AND AS GENERAL ANTIINFLAMMATORY AGENTS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-10 US disclosed
US-5852028-A Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions SIGNAL PHARMACEUTICALS, INC. (US) 1998-12-22 US disclosed
US-5811428-A ADMINISTERING FOR THE TREATMENT AND PREVENTION OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-22 US disclosed
WO-1998038171-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-03 WO 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
WO-1997009325-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed