SCHEMBL6545848

SCHEMBL6545848

COc1ccc(-c2nc(NC(=O)c3cccnc3)sc2-c2cc[n+]([O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
USP2 O75604 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ADORA3 P0DMS8 7/20 0.59
ADORA1 P30542 7/20 0.59
ADORA2A P29274 2/20 0.59
CHRM5 P08912 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
ADORA2B P29275 1/20 0.59
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
RECQL P46063 1/20 0.57
THRB P10828 1/20 0.57
SCD O00767 2/20 0.56
ALDH1A1 P00352 4/20 0.54

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
SCHEMBL6547106 0.89 MAPT (0.73) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL6282312 0.89 ADORA3 (0.73) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL6546601 0.88 ADORA3 (0.58) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL6548193 0.86 ADORA3 (0.58) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL6545837 0.86 ADORA3 (0.80) MAPTMEN1KMT2AADORA3ADORA1
SCHEMBL12301018 0.83 ALDH1A1 (0.78) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL4258907 0.82 MAPK14 (0.65) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL31079626 0.82 MAPK14 (0.65) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL6546857 0.82 MAPT (0.81) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL206504 0.80 MAPT (0.82) MAPTMEN1KMT2AUSP2CYP2C9

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