SCHEMBL13638866

SCHEMBL13638866

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
CRBN Q96SW2 1/20 0.39
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
FFAR1 O14842 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
BLM P54132 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL13162577 0.89 LDHA (0.36) HCRTR1HCRTR2ADORA2AADORA1FFAR1
SCHEMBL13634283 0.82 ADORA2A (0.35) HRH3ADORA2AADORA1MEN1KMT2A
SCHEMBL3541650 0.76 RAB9A (0.45) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL15888542 0.75 GAA (0.47) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL13161921 0.73 HRH3 (0.60) HRH3HCRTR1HCRTR2CRBNMEN1
SCHEMBL2552182 0.72 HRH3 (0.45) HRH3HCRTR1HCRTR2CRBNADORA2A
SCHEMBL3559561 0.72 PTGER1 (0.38) GAASMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL13634222 0.71 PTGER1 (0.38) GAASMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL13163985 0.71 HRH3 (0.49) HRH3HCRTR1HCRTR2CRBNMAOA
SCHEMBL15888628 0.70 GAA (0.43) MEN1KMT2AMAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed