SCHEMBL8398384

SCHEMBL8398384

NNc1ncc(C(=O)c2ccccc2)c(C(F)(F)F)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
CNR2 P34972 11/20 0.48
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.46
XPO1 O14980 1/20 0.45
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
VNN1 O95497 1/20 0.40

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
SCHEMBL8396850 0.79 XPO1 (0.65) JUNNFKB1NFKB2RELAHTT
SCHEMBL6475927 0.76 MAPT (0.60) JUNNFKB1NFKB2RELACNR2
SCHEMBL8395149 0.75 JUN (0.50) JUNNFKB1NFKB2RELACNR2
SCHEMBL8722111 0.73 NFKB1 (0.60) JUNNFKB1NFKB2RELACNR2
SCHEMBL3380598 0.72 CNR2 (0.70) CNR2XPO1
SCHEMBL8396932 0.72 KDM4E (0.70) JUNNFKB1NFKB2RELAMAPT
SCHEMBL8396937 0.71 KDM4E (0.41) JUNNFKB1NFKB2RELACNR2
SCHEMBL8557809 0.69 NFKB1 (0.75) JUNNFKB1NFKB2RELACNR2
SCHEMBL29076982 0.69 GAA (0.51) JUNNFKB1NFKB2RELACNR2
SCHEMBL30106723 0.69 GAA (0.51) JUNNFKB1NFKB2RELACNR2

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-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
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