SCHEMBL6545476

SCHEMBL6545476

COc1ccc(-c2nc(NC(=O)c3ccccc3)sc2-c2ccncc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
USP2 O75604 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
ALDH1A1 P00352 2/20 0.68
ADORA3 P0DMS8 10/20 0.66
ADORA1 P30542 9/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 2/20 0.66
RECQL P46063 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
THRB P10828 1/20 0.66
KDM4E B2RXH2 1/20 0.63
GAA P10253 1/20 0.63
ADORA2A P29274 4/20 0.63
ADORA2B P29275 2/20 0.59
CHRM5 P08912 1/20 0.59
HTR2A P28223 1/20 0.59

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
SCHEMBL6282347 0.94 MAPT (0.69) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL206504 0.94 MAPT (0.82) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL6284215 0.92 MAPT (0.67) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL6282312 0.90 ADORA3 (0.73) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL235277 0.90 ADORA1 (0.78) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL6282412 0.87 ADORA1 (0.59) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL4258912 0.86 MAPK14 (0.78) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL6547106 0.86 MAPT (0.73) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL6282486 0.86 MAPT (0.67) MAPTMEN1KMT2AUSP2CYP2C9
SCHEMBL3901841 0.86 MAPT (0.64) 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 3 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