SCHEMBL6545876

SCHEMBL6545876

CCCNC(=O)Nc1nc(-c2ccc(OC)cc2)c(-c2cc[n+]([O-])cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
KDM4E B2RXH2 3/20 0.57
GAA P10253 3/20 0.57
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PTGS2 P35354 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
RECQL P46063 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
THRB P10828 1/20 0.50
ABL1 P00519 2/20 0.49
HTT P42858 1/20 0.48
USP2 O75604 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ACHE P22303 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL6546188 0.92 MAPT (0.60) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6546335 0.87 NPC1 (0.43) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6546415 0.87 MAPT (0.61) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6546295 0.86 MEN1 (0.48) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6545445 0.86 MAPT (0.60) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6545809 0.85 MAPT (0.62) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6546891 0.85 ADORA3 (0.46) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6546857 0.84 MAPT (0.81) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6547114 0.82 MAPT (0.63) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6547106 0.80 MAPT (0.73) 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 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