SCHEMBL13634317

SCHEMBL13634317

COCCN(c1nc(C(=O)O)cs1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
S1PR1 P21453 1/20 0.35
PLA2G4A P47712 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL3436051 0.86 RAB9A (0.49) ALDH1A1GAARAB9AMEN1KMT2A
SCHEMBL3551333 0.82 ALDH1A1 (0.41) ALDH1A1TP53GAARAB9AMEN1
Hydrochloric Acid SCHEMBL2077470 0.81 ALDH1A1 (0.40) ALDH1A1TP53GAARAB9AMEN1
SCHEMBL3435890 0.77 THRB (0.40) ALDH1A1TP53GAARAB9AMEN1
SCHEMBL3436066 0.77 THRB (0.40) ALDH1A1TP53GAARAB9AMEN1
SCHEMBL3436205 0.76 PTGDR2 (0.38) ALDH1A1TP53GAARAB9AMEN1
SCHEMBL10277329 0.75 ALDH1A1 (0.39) ALDH1A1TP53GAARAB9AMEN1
SCHEMBL3557687 0.75 PTGDR2 (0.42) ALDH1A1TP53GAARAB9AMEN1
SCHEMBL3435935 0.74 L3MBTL1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1PLA2G4A
SCHEMBL13634203 0.73 L3MBTL1 (0.36) ALDH1A1TP53GAARAB9AMEN1

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