SCHEMBL8722111

SCHEMBL8722111

CC(C)(C)OC(=O)c1cnc(NN)nc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 7/20 0.60
JUN P05412 5/20 0.60
NFKB2 Q00653 5/20 0.60
RELA Q04206 5/20 0.60
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 7/20 0.38
ATF1 P18846 2/20 0.37
XPO1 O14980 1/20 0.34

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
SCHEMBL6475927 0.87 MAPT (0.60) NFKB1JUNNFKB2RELAMAPT
SCHEMBL8396932 0.83 KDM4E (0.70) NFKB1JUNNFKB2RELAMAPT
SCHEMBL8398500 0.79 NFKB1 (0.53) NFKB1JUNNFKB2RELAKDM4E
SCHEMBL8891103 0.78 NFKB1 (0.52) NFKB1JUNNFKB2RELAMAPT
SCHEMBL8398281 0.77 MAPT (0.49) NFKB1JUNNFKB2RELAMAPT
SCHEMBL6477545 0.73 GAA (0.51) NFKB1JUNNFKB2RELAMAPT
SCHEMBL8559321 0.73 MAPT (0.43) NFKB1JUNNFKB2RELAMAPT
SCHEMBL8398384 0.73 JUN (0.59) NFKB1JUNNFKB2RELAMAPT
SCHEMBL8395161 0.73 KDM4E (0.56) NFKB1JUNNFKB2RELAMAPT
SCHEMBL16905391 0.70 JUN (0.44) NFKB1JUNNFKB2RELAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998038171-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-03 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