SCHEMBL13634332

SCHEMBL13634332

CO[C@H]1CCN(c2nc(C(=O)O)co2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 3/20 0.39
MGLL Q99685 1/20 0.38
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
SCD O00767 2/20 0.37
TTR P02766 2/20 0.36
PTGER4 P35408 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
ACACB O00763 3/20 0.35
PIN1 Q13526 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
AOC3 Q16853 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL13162789 0.89 RIPK1 (0.36) SCD5PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13162581 0.86 TTR (0.39) TTRPIN1IRAK4
SCHEMBL13638873 0.86 LIPG (0.46) TTRACACBIRAK4
SCHEMBL13634348 0.84 LIPG (0.41) TTRACACBIRAK4
SCHEMBL18207856 0.84 TTR (0.36) SCD5TTRIRAK4
SCHEMBL16896321 0.84 TTR (0.36) SCD5TTRIRAK4
SCHEMBL17383754 0.82 USP2 (0.40) MGLLIRAK4RIPK1
SCHEMBL13634225 0.82 EPHX2 (0.38) TTRACACB
SCHEMBL18207851 0.81 IRAK4 (0.47) SCD5SCDIRAK4
SCHEMBL16896384 0.81 IRAK4 (0.47) SCD5SCDIRAK4

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-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed