SCHEMBL6546252

SCHEMBL6546252

CCC(=O)Nc1nc(-c2ccc(OC)cc2)c(-c2ccncc2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
ALDH1A1 P00352 6/20 0.66
KDM4E B2RXH2 4/20 0.66
LMNA P02545 3/20 0.66
GAA P10253 3/20 0.66
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
PTGS2 P35354 4/20 0.59
ADORA3 P0DMS8 1/20 0.55
ADORA2B P29275 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
RECQL P46063 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
THRB P10828 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
CYP3A4 P08684 1/20 0.52
WNT3A P56704 1/20 0.52

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
SCHEMBL6546740 0.91 MAPT (0.63) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL6280826 0.91 MAPT (0.66) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL6546414 0.87 ALDH1A1 (0.56) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL6546546 0.87 MAPT (0.88) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL6285228 0.86 MAPT (0.63) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL6545809 0.85 MAPT (0.62) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL6546255 0.85 ALDH1A1 (0.51) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL6546864 0.85 KDM4E (0.51) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL6546289 0.85 KDM4E (0.51) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL6282347 0.85 MAPT (0.69) MAPTALDH1A1KDM4ELMNAGAA

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