SCHEMBL13634346

SCHEMBL13634346

CCOC1CCN(c2nc(C(=O)O)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
PTGER1 P34995 3/20 0.45
SCD O00767 1/20 0.44
OGA O60502 1/20 0.42
LDHA P00338 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13163986 0.93 HRH3 (0.43) HRH3PTGER1SCDOGALDHA
SCHEMBL13162288 0.88 HRH3 (0.61) HRH3SCDOGALMNAMEN1
SCHEMBL13163987 0.87 PTGER1 (0.40) HRH3PTGER1OGALDHALMNA
SCHEMBL13162807 0.87 HRH3 (0.48) HRH3PTGER1SCDOGALDHA
SCHEMBL13162769 0.86 HRH3 (0.47) HRH3PTGER1SCDOGALDHA
SCHEMBL3435877 0.85 HRH3 (0.52) HRH3PTGER1SCDOGALDHA
SCHEMBL2079085 0.83 HRH3 (0.54) HRH3PTGER1SCDOGALDHA
SCHEMBL2079022 0.82 MAPT (0.51) LMNAMEN1ALDH1A1POLBBLM
SCHEMBL13163984 0.81 HRH3 (0.56) HRH3SCDOGALMNAMEN1
SCHEMBL13634311 0.81 HRH3 (0.47) HRH3PTGER1SCDOGALDHA

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