SCHEMBL4869355

SCHEMBL4869355

c1ccc(-c2nc(-c3ccc4ccccc4c3)n(-n3c(-c4ccc5ccccc5c4)nc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PDE10A Q9Y233 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 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
SCHEMBL4597351 0.84 BCHE (0.45) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10033037 0.79 GAA (0.51) ADORA2AADORA1KDM4EALDH1A1TP53
SCHEMBL6362990 0.78 NPSR1 (0.61) ADORA2AADORA1KDM4EALDH1A1TP53
SCHEMBL11508710 0.74 PTGS2 (0.56) TP53SMN1; SMN2TDP1
SCHEMBL29732755 0.73 HSD11B1 (0.49) KDM4EALDH1A1TP53CYP1A2SMN1; SMN2
SCHEMBL63728 0.73 HSD11B1 (0.49) KDM4EALDH1A1TP53CYP1A2SMN1; SMN2
SCHEMBL12571718 0.73 MGAM (0.47)
SCHEMBL37543 0.73 MGAM (0.47)
SCHEMBL28079530 0.73 ADORA2A (0.62) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL12956030 0.73 BCHE (0.51) KDM4EALDH1A1TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462443-B2 Leuco dye-containing coating compositions HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2008-12-09 US claimed
WO-2005026274-A1 COATING COMPOSITIONS CONTAINING A LEUCO DYE-AND A DIARYLGUANIDINE DYE HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2005-03-24 WO claimed
US-20050053870-A1 Leuco dye-containing coating compositions HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2005-03-10 US claimed
US-9121776-B2 Welding arc apparel with UV or thermochromic activated images LINCOLN GLOBAL, INC. (US) 2015-09-01 US disclosed
US-20130026150-A1 WELDING ARC APPAREL WITH UV OR THEMOCHROMIC ACTIVATED IMAGES LINCOLN GLOBAL, INC. (US) 2013-01-31 US disclosed
US-7462443-B2 Leuco dye-containing coating compositions HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2008-12-09 US disclosed
US-20050053870-A1 Leuco dye-containing coating compositions HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2005-03-10 US disclosed
US-6251571-B1 MIXTURE OF OXIDIZER, DYE AND HYDROXYLAMINE E. I. DU PONT DE NEMOURS AND COMPANY 2001-06-26 US disclosed