SCHEMBL6545671

SCHEMBL6545671

CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)c(-c2cc[n+]([O-])cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
PIK3CD O00329 3/20 0.45
PIK3CA P42336 3/20 0.45
PIK3CB P42338 3/20 0.45
PIK3CG P48736 3/20 0.45
XIAP P98170 3/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL6545796 0.90 MAPT (0.57) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6546321 0.89 XIAP (0.51) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6546391 0.88 RORC (0.45) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6546069 0.87 KMT2A (0.56) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL6545828 0.87 KMT2A (0.53) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6546424 0.86 ALDH1A1 (0.47) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6547147 0.86 ABL1 (0.43) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6546857 0.85 MAPT (0.81) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6546346 0.85 MAPT (0.59) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6545762 0.85 ALDH1A1 (0.62) MAPTALDH1A1LMNAKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 WO disclosed