SCHEMBL6974968

SCHEMBL6974968

Cc1cc(-c2noc(C(F)F)n2)cc(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 2/20 0.37
S1PR1 P21453 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 1/20 0.34
S1PR3 Q99500 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8602514 0.84 HDAC4 (0.41) HDAC4NPC1RAB9AL3MBTL1TSHR
SCHEMBL8554106 0.78 L3MBTL1 (0.56) CA1CA2NPC1RAB9AL3MBTL1
SCHEMBL21332420 0.75 NPC1 (0.58) HDAC4NPC1RAB9AL3MBTL1TSHR
SCHEMBL5098195 0.74 NR1I2 (0.52) HDAC4
SCHEMBL8824551 0.74 TP53 (0.37) HDAC4NPC1RAB9AL3MBTL1TSHR
SCHEMBL8875104 0.71 RAB9A (0.54) CA1CA2NPC1RAB9AL3MBTL1
SCHEMBL14070535 0.70 CA1 (0.65) CA1CA2NPC1RAB9AL3MBTL1
SCHEMBL8977892 0.69 L3MBTL1 (0.50) CA1CA2NPC1RAB9AL3MBTL1
SCHEMBL21332316 0.68 HDAC4 (0.43) HDAC4NPC1RAB9AS1PR1SMN1; SMN2
SCHEMBL28761225 0.68 HDAC4 (0.41) HDAC4NPC1RAB9AL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759755-B1 Thiadiazolylalkoxyphenyl derivatives, their preparation and their use anti-picornaviral agents SANOFI SYNTHELABO (FR) 2003-08-13 EP disclosed
CN-1095664-C Thiadiazoles and their use as antipicornaviral agent SANNOFFE SYNTHELAB S A (FR) 2002-12-11 CN disclosed
US-5821257-A Thiadiazoles and their uses as antipicornaviral agents SANOFI (FR) 1998-10-13 US disclosed
US-5750527-A VIRICIDES SANOFI (FR) 1998-05-12 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed
US-5665763-A ANTIPICORNAVIRAL AGENTS SANOFI, S.A. (FR) 1997-09-09 US disclosed
US-5650419-A Thiadiazoles and their use as antipicornaviral agents SANOFI, S.A. 1997-07-22 US disclosed
CN-1148339-A Thiadiazoles and their use as antipicornaviral agent SANOFI WINTHROP INC (US) 1997-04-23 CN disclosed
US-5567717-A COMBATTING PICORNAVIRUSES STERLING WINTHROP, INC. (US) 1996-10-22 US disclosed
US-5567719-A Thiadiazoles and their use as antipicornaviral agents STERLING WINTHROP, INC. (US) 1996-10-22 US disclosed
US-5514679-A TREATMENT OF PICORNAVIRUS INFECTIONS STERLING WINTHROP INC. (US) 1996-05-07 US disclosed
WO-1995031439-A1 THERAPEUTIC PHENOXYALKYLPYRIDAZINES AND INTERMEDIATES THEREFOR 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