SCHEMBL8800873

SCHEMBL8800873

Cc1cc(C(N)=NO)cc(C)c1OCCCc1n[nH]c(=O)s1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 3/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.31
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6981958 0.79 RAB9A (0.35) THRATHRBGAARAB9AMAPT
SCHEMBL6977621 0.78 GAA (0.37) THRATHRBGAARAB9AMAPT
SCHEMBL8558817 0.77 GAA (0.35) THRATHRBGAARAB9AMAPT
SCHEMBL8800878 0.76
SCHEMBL9090606 0.74 GAA (0.35) THRATHRBGAARAB9AMAPT
SCHEMBL9090504 0.74 GAA (0.36) THRATHRBGAARAB9AMAPT
SCHEMBL8921403 0.72 RAB9A (0.40) GAARAB9AMAPTLMNAHSD17B10
SCHEMBL9089532 0.71 PARP15 (0.36) THRATHRBGAARAB9AMAPT
SCHEMBL8913251 0.70 NR1I2 (0.43)
SCHEMBL8992145 0.70 GAA (0.41) THRATHRBGAARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650419-A Thiadiazoles and their use as antipicornaviral agents SANOFI, S.A. 1997-07-22 US disclosed
EP-0759755-A4 THIADIAZOLES AND THEIR USE AS ANTIPICORNAVIRAL AGENTS SANOFI WINTHROP INC (US) 1997-05-07 EP disclosed
EP-0759755-A1 Thiadiazolylalkoxyphenyl derivatives, their preparation and their use anti-picornaviral agents SANOFI WINTHROP, INC. (US) 1997-03-05 EP disclosed
US-5567719-A Thiadiazoles and their use as antipicornaviral agents STERLING WINTHROP, INC. (US) 1996-10-22 US disclosed
WO-1995031198-A1 THIADIAZOLES AND THEIR USE AS ANTIPICORNAVIRAL AGENTS SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed
US-5453433-A Viricides; antiseptics to decontaminate polio, rhino and coxsackie viruses STERLING WINTHROP INC. (US) 1995-09-26 US disclosed