SCHEMBL18808024

SCHEMBL18808024

O=[N+]([O-])c1cc(Cl)ccc1NC1CCS(=O)(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.52
WNK1 Q9H4A3 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 6/20 0.45
MAPK1 P28482 3/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
APP P05067 1/20 0.43
PSMD14 O00487 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL16763403 0.92 HCAR3 (0.47) HCAR3WNK1L3MBTL1MAPTMAPK1
SCHEMBL15428361 0.92 HCAR3 (0.47) HCAR3WNK1L3MBTL1MAPTMAPK1
SCHEMBL16485897 0.92 HCAR3 (0.47) HCAR3WNK1L3MBTL1MAPTMAPK1
SCHEMBL2728614 0.89 HCAR3 (0.64) HCAR3WNK1L3MBTL1MAPTMAPK1
SCHEMBL16485919 0.86 L3MBTL1 (0.50) HCAR3WNK1L3MBTL1MAPTMAPK1
SCHEMBL7541568 0.85 HCAR3 (0.64) HCAR3WNK1L3MBTL1MAPTMAPK1
SCHEMBL22716728 0.84 HCAR3 (0.52) HCAR3WNK1L3MBTL1MAPTMAPK1
SCHEMBL31192527 0.84 HCAR3 (0.52) HCAR3WNK1L3MBTL1MAPTMAPK1
SCHEMBL17675674 0.83 HCAR3 (0.55) HCAR3WNK1L3MBTL1MAPTMAPK1
SCHEMBL22724894 0.83 MAPK1 (0.52) HCAR3WNK1L3MBTL1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670211-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2017-06-06 US disclosed
EP-3033341-B1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2017-05-03 EP disclosed