SCHEMBL13634222

SCHEMBL13634222

O=C(O)c1csc(N2C[C@@H](F)C[C@@H]2CO)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LDHA P00338 8/20 0.37
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL3559561 0.86 PTGER1 (0.38) PTGER1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL15888542 0.83 GAA (0.47) ALDH1A1GAASMN1; SMN2POLBL3MBTL1
SCHEMBL13162577 0.81 LDHA (0.36) PTGER1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13634335 0.78 PDE10A (0.35) PDE10A
SCHEMBL13270380 0.74 LDHA (0.47) PTGER1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL3549852 0.73 FPR2 (0.40) PTGER1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13638848 0.73 PDE10A (0.32) PDE10A
SCHEMBL13634291 0.72 LDHA (0.36) PTGER1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL3550523 0.71 PTGER1 (0.46) PTGER1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13638866 0.71 HRH3 (0.41) ALDH1A1GAASMN1; SMN2POLBL3MBTL1

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