SCHEMBL6546817

SCHEMBL6546817

COc1ccc(-c2nc(-n3cc[nH]c3=O)sc2-c2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
TGFBR1 P36897 1/20 0.40
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
RAF1 P04049 1/20 0.39
PTGS2 P35354 2/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6546200 0.87 KIF11 (0.41) KMT2AALDH1A1MAPTLMNAPTGS2
SCHEMBL6546166 0.83 ADORA3 (0.42) GAAMAPK14
SCHEMBL6545699 0.76 KMT2A (0.54) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6545799 0.75 KMT2A (0.52) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6546266 0.73 KMT2A (0.53) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL7844066 0.71 PTGS2 (0.59) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6284661 0.70 KDM4E (0.59) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL8354925 0.68 ATM (0.47) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL3088398 0.66 KMT2A (0.74) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6546546 0.66 MAPT (0.88) KMT2AALDH1A1MAPTKDM4ELMNA

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