SCHEMBL5226697

SCHEMBL5226697

O=C(Nc1ccc2sc(CO)nc2c1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.78
HDAC6 Q9UBN7 1/20 0.59
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL5131486 0.91 TRPV1 (0.80) TRPV1HDAC6
SCHEMBL5800285 0.89 TRPV1 (0.80) TRPV1HDAC6
SCHEMBL5800485 0.88 TRPV1 (1.00) TRPV1HDAC6
SCHEMBL5800442 0.88 TRPV1 (0.78) TRPV1HDAC6
SCHEMBL5799101 0.88 TRPV1 (1.00) TRPV1HDAC6MAPT
SCHEMBL5126009 0.85 TRPV1 (1.00) TRPV1
SCHEMBL5803304 0.85 TRPV1 (1.00) TRPV1
SCHEMBL5803749 0.85 TRPV1 (0.67) TRPV1HDAC6
SCHEMBL5132530 0.84 TRPV1 (0.73) TRPV1HDAC6
SCHEMBL5126093 0.84 TRPV1 (0.74) TRPV1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP claimed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO claimed
EP-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO disclosed