SCHEMBL3827285

SCHEMBL3827285

Cc1cccc(-c2cccs2)c1OC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
KEAP1 Q14145 1/20 0.42
AR P10275 1/20 0.41
TMIGD3 P0DMS9 2/20 0.39
ADORA2A P29274 1/20 0.39
BTK Q06187 1/20 0.39
S1PR4 O95977 1/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
IKBKB O14920 1/20 0.38
HTT P42858 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 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
SCHEMBL10523979 0.77 L3MBTL1 (0.52) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL3951574 0.75 MEN1 (0.41) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4318402 0.75 ALDH1A1 (0.46) MAPTALDH1A1GAAKDM4ETSHR
Bicarbonate SCHEMBL7346713 0.71 HPGD (0.51) MAPTALDH1A1GAAKDM4ETSHR
SCHEMBL2417969 0.71 ALDH1A1 (0.49) MAPTALDH1A1GAAKDM4ETSHR
SCHEMBL29728559 0.71 PTPN1 (0.49) MAPTALDH1A1KDM4ETSHRHSD17B10
SCHEMBL31108964 0.70 KIF11 (0.51) ALDH1A1KDM4EMEN1KMT2A
Bicarbonate SCHEMBL7346726 0.70 ALDH1A1 (0.50) MAPTALDH1A1GAAKDM4ETSHR
Bicarbonate SCHEMBL7346716 0.70 ALDH1A1 (0.50) MAPTALDH1A1GAAKDM4ETSHR
SCHEMBL28080111 0.70 KDM4E (0.49) MAPTALDH1A1GAAKDM4EHPGD

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
EP-1765339-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
EP-1765339-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-03-28 EP disclosed
WO-2006005057-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-01-12 WO disclosed