SCHEMBL8398161

SCHEMBL8398161

CCOC(=O)c1cnc(NN)nc1C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 6/20 0.48
MAPT P10636 3/20 0.48
HSP90AA1 P07900 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 1/20 0.45
CSNK1D P48730 1/20 0.45
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
JUN P05412 1/20 0.44
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP4 P27487 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8398108 0.87 RAB9A (0.64) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL8398390 0.84 JUN (0.60) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL8398081 0.82 HSP90AA1 (0.69) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL8396932 0.81 KDM4E (0.70) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL7460518 0.80 HSP90AA1 (0.67) RAB9ANPC1MAPTHSP90AA1KDM4E
SCHEMBL9496451 0.80 ALDH1A1 (0.51) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL8397671 0.79 ALDH1A1 (0.69) RAB9ANPSR1NPC1MAPTKDM4E
SCHEMBL8395161 0.79 KDM4E (0.56) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL8394462 0.78 HSP90AA1 (0.49) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL5768324 0.77 HSP90AA1 (0.48) RAB9ANPSR1NPC1MAPTHSP90AA1

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 4 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
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