SCHEMBL13634310

SCHEMBL13634310

COCC1CCN(c2nc(C(=O)O)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.45
HRH3 Q9Y5N1 4/20 0.44
OGA O60502 1/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SCD O00767 1/20 0.40
LDHA P00338 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
NPC1 O15118 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
SCHEMBL15888540 0.85 OGA (0.48) HRH3OGARAB9ASMN1; SMN2MEN1
SCHEMBL3435877 0.83 HRH3 (0.52) PTGER1HRH3OGARAB9ASMN1; SMN2
SCHEMBL13162769 0.81 HRH3 (0.47) PTGER1HRH3OGARAB9ASMN1; SMN2
SCHEMBL13634346 0.80 HRH3 (0.47) PTGER1HRH3OGARAB9ASMN1; SMN2
SCHEMBL2078959 0.79 PTGER1 (0.48) PTGER1HRH3OGARAB9ASMN1; SMN2
SCHEMBL13162807 0.79 HRH3 (0.48) PTGER1HRH3OGARAB9ASMN1; SMN2
SCHEMBL2079085 0.78 HRH3 (0.54) PTGER1HRH3OGARAB9ASMN1; SMN2
SCHEMBL13634311 0.78 HRH3 (0.47) PTGER1HRH3OGARAB9ASMN1; SMN2
SCHEMBL13162579 0.78 HRH3 (0.47) PTGER1HRH3OGARAB9ASMN1; SMN2
SCHEMBL30295682 0.78 ADORA2A (0.43) PTGER1LDHA

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