SCHEMBL8518593

SCHEMBL8518593

O=C(O)c1cnc(Cl)nc1-c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MKNK1 Q9BUB5 3/20 0.47
MKNK2 Q9HBH9 3/20 0.47
KMO O15229 2/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
DHODH Q02127 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
EIF4E P06730 1/20 0.42
CYP2A6 P11509 3/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL8394975 0.86 JUN (0.55) ALDH1A1JUNNFKB1NFKB2RELA
SCHEMBL8396866 0.83 MAPK1 (0.52) ALDH1A1JUNNFKB1NFKB2RELA
SCHEMBL4278964 0.80 KMO (0.46) ALDH1A1L3MBTL1MKNK1MKNK2KMO
SCHEMBL6016346 0.79 KMT2A (0.56) ALDH1A1L3MBTL1MKNK1MKNK2KMO
SCHEMBL16653633 0.78 RPS6KA5 (0.50) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL3624974 0.77 PTGS1 (0.54) ALDH1A1L3MBTL1MKNK1MKNK2KMO
SCHEMBL5145882 0.76 KDM4E (0.67) ALDH1A1L3MBTL1MKNK1MKNK2KMO
SCHEMBL8543261 0.75 JUN (0.54) ALDH1A1JUNNFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL22719435 0.75 KDM4E (0.65) ALDH1A1L3MBTL1MKNK1MKNK2KMO
SCHEMBL5792144 0.75 ADORA2A (0.48) ALDH1A1MKNK1MKNK2LMNAKDM4E

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 1 patent. 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