SCHEMBL4970650

SCHEMBL4970650

O=C(O)NOCc1nc2cnc3ccccc3c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
NPC1 O15118 5/20 0.39
ALOX5 P09917 3/20 0.39
EPHX2 P34913 3/20 0.39
RAB9A P51151 3/20 0.39
TLR8 Q9NR97 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR7 Q9NYK1 3/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2809228 0.82 NPC1 (0.41) KMT2ANPC1RAB9ATLR8CYP1A2
SCHEMBL4964660 0.81 TLR8 (0.61) TLR8TLR7
SCHEMBL2807423 0.80 CYP1A2 (0.61) KMT2ANPC1RAB9ACYP1A2CYP2C19
SCHEMBL2806860 0.78 TLR8 (0.37) KMT2ANPC1ALOX5EPHX2RAB9A
SCHEMBL1528140 0.78 SMN1; SMN2 (0.43) KMT2ANPC1RAB9ATLR8CYP1A2
SCHEMBL13128110 0.78 NPC1 (0.40) KMT2ANPC1RAB9ATLR8CYP1A2
SCHEMBL2806864 0.77 TLR8 (0.44) KMT2ANPC1ALOX5EPHX2RAB9A
SCHEMBL1528127 0.76 TLR8 (0.41) KMT2ANPC1RAB9ATLR8CYP1A2
Hydrochloric Acid SCHEMBL31461700 0.74 UBE2T (0.51) TLR8TLR7KDM4E
Hydrochloric Acid SCHEMBL31461696 0.74 UBE2T (0.51) TLR8TLR7KDM4E

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
EP-1877056-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED THIAZOLOÝ4,5-C¨RING COMPOUNDS AND METHODS Coley Pharmaceutical Group, Inc. (US) 2008-01-16 EP disclosed
WO-2007120121-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED THIAZOLO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-25 WO disclosed