SCHEMBL7563397

SCHEMBL7563397

O=c1cc(NCc2ccccc2)[nH]c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 14/20 0.73
TYMP P19971 2/20 0.69
CDC25B P30305 1/20 0.58

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
SCHEMBL25418782 0.74 GPR84 (0.54) GPR84TYMP
SCHEMBL4082607 0.74 MAPT (0.68)
SCHEMBL8154153 0.73 GPR84 (0.53) GPR84TYMP
SCHEMBL21234494 0.72 UNG (0.55) GPR84TYMP
SCHEMBL3299074 0.72 HPGD (0.59) GPR84TYMPCDC25B
SCHEMBL22639826 0.72 SMN1; SMN2 (0.74) CDC25B
SCHEMBL21667343 0.71 MEN1 (0.61) GPR84CDC25B
SCHEMBL21667215 0.71 SMN1; SMN2 (0.53) GPR84CDC25B
SCHEMBL21221785 0.70 UNG (0.60) GPR84
SCHEMBL1287276 0.70 SMN1; SMN2 (0.69) GPR84TYMP

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-6448256-B1 PRECURSORS OF N-SUBSTITUTED DERIVATIVES OF 6-AMINOURACILS, 6-AMINOISOCYTOSINES, GUANINES AND 2-AMINOADENINES HAVING A CLEAVABLE ESTER GROUP; GREATER WATER SOLUBILITY AND ORAL BIOAVAILABILITY; TREATING GRAM POSITIVE BACTERIAL INFECTIONS UNIVERSITY OF MASSACHUSETTS 2002-09-10 US disclosed
EP-1185517-A1 ANTIBIOTIC PRODRUGS University of Massachusetts (US) 2002-03-13 EP disclosed
WO-2000071523-A1 ANTIBIOTIC PRODRUGS UNIVERSITY OF MASSACHUSETTS (US) 2000-11-30 WO disclosed
EP-0772439-B1 Novel antibiotic compounds and antibiotic compositions comprising said compounds for inhibiting gram positive bacteria and mycoplasma cells. UNIV MASSACHUSETTS MEDICAL (US) 2000-10-04 EP disclosed