SCHEMBL8394530

SCHEMBL8394530

CCOC(=O)c1cnc(O)nc1-c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 3/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
FOS P01100 2/20 0.52
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 6/20 0.51
GAA P10253 4/20 0.49
HPGD P15428 2/20 0.49
CASP1 P29466 1/20 0.49
MAPT P10636 5/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
KMT2A Q03164 2/20 0.47
KEAP1 Q14145 1/20 0.45
TSHR P16473 2/20 0.45
RECQL P46063 2/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL8399677 0.86 JUN (0.52) JUNNFKB1NFKB2RELAFOS
SCHEMBL8394414 0.83 JUN (0.51) JUNNFKB1NFKB2RELAFOS
SCHEMBL8398079 0.80 FOS (0.59) JUNNFKB1NFKB2RELAFOS
SCHEMBL4593201 0.79 ALDH1A1 (0.76) NFKB1NFKB2RELAALDH1A1KDM4E
SCHEMBL14625882 0.77 SMN1; SMN2 (0.66) JUNNFKB1NFKB2RELAFOS
SCHEMBL8395420 0.77 ALDH1A1 (0.62) JUNNFKB1NFKB2RELAFOS
SCHEMBL5385736 0.75 KMT2A (0.56) JUNNFKB1NFKB2RELAFOS
SCHEMBL8724476 0.75 JUN (0.44) JUNNFKB1NFKB2RELAFOS
SCHEMBL3720931 0.75 ALDH1A1 (0.57) JUNNFKB1NFKB2RELAFOS
SCHEMBL12929529 0.75 FOS (0.69) JUNNFKB1NFKB2RELAFOS

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