SCHEMBL6853903

SCHEMBL6853903

OCC(F)=Cc1ccsc1-c1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 2/20 0.38
CYP1A2 P05177 2/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
GRM1 Q13255 1/20 0.31
TERT O14746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 2/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL6853895 1.00 MAPK8 (0.38) MAPK8MAPK9MAPK10CYP1A2ADORA2A
SCHEMBL6851878 0.83 MAPK8 (0.37) MAPK8MAPK9MAPK10CYP1A2ADORA2A
SCHEMBL6850786 0.81 CASP6 (0.33) MAPK8MAPK9MAPK10CYP1A2ADORA2A
SCHEMBL6850776 0.81 CASP6 (0.33) MAPK8MAPK9MAPK10CYP1A2ADORA2A
SCHEMBL6852125 0.78 MAPK8 (0.39) MAPK8MAPK9MAPK10CYP1A2ADORA2A
SCHEMBL6852120 0.78 MAPK8 (0.39) MAPK8MAPK9MAPK10CYP1A2ADORA2A
SCHEMBL6847827 0.75 MAPK8 (0.40) MAPK8MAPK9MAPK10CYP1A2ADORA2A
SCHEMBL28753658 0.73 MAPK8 (0.40) MAPK8MAPK9MAPK10CYP1A2ADORA2A
SCHEMBL6848063 0.73 CYP1A2 (0.36) MAPK8MAPK9MAPK10CYP1A2ADORA2A
SCHEMBL6850782 0.72 KDM4E (0.35) CYP1A2TERTKDM4EALDH1A1HSD17B10

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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed