SCHEMBL28039004

SCHEMBL28039004

CC(=O)Oc1cc2nc(Cl)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 5/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
NOD1 Q9Y239 5/20 0.42
CXCL8 P10145 2/20 0.40
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
PPARD Q03181 2/20 0.40
NOD2 Q9HC29 1/20 0.38
CCR2 P41597 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTR6 P50406 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL16818904 0.80 ALDH3A1 (0.50) ALDH3A1HPGDALDH1A1HTTHSD17B10
SCHEMBL29526316 0.80 ALDH3A1 (0.50) ALDH3A1HPGDALDH1A1HTTHSD17B10
SCHEMBL16818821 0.79 CCR2 (0.52) ALDH3A1HPGDALDH1A1HTTHSD17B10
SCHEMBL16254657 0.79 NOD1 (0.46) ALDH3A1HPGDALDH1A1HTTHSD17B10
SCHEMBL7214149 0.76 NOD2 (0.62) ALDH3A1HPGDALDH1A1HTTHSD17B10
SCHEMBL16818895 0.76 NOD1 (0.43) ALDH3A1HPGDALDH1A1HTTHSD17B10
SCHEMBL21064305 0.76 PPARG (0.47) ALDH3A1HPGDALDH1A1HTTHSD17B10
SCHEMBL16818540 0.76 NOD1 (0.47) ALDH3A1HPGDALDH1A1HTTHSD17B10
SCHEMBL3528148 0.76 PPARG (0.48) ALDH3A1HPGDALDH1A1HTTHSD17B10
SCHEMBL7213488 0.76 PPARG (0.48) ALDH3A1HPGDALDH1A1HTTHSD17B10

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
CN-105392787-A Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN LA ROCHE 2016-03-09 CN disclosed