SCHEMBL6545841

SCHEMBL6545841

Cc1cc(C)cc(-c2sc(N)nc2-c2ccncc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
KDM4E B2RXH2 3/20 0.61
MAPK1 P28482 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
XBP1 P17861 1/20 0.61
ALDH1A1 P00352 6/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
GAA P10253 3/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK14 Q16539 4/20 0.47

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
SCHEMBL6280480 0.94 KDM4E (0.61) MAPTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL6279903 0.86 SMN1; SMN2 (0.84) MAPTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL6280916 0.84 MAPK14 (0.67) MAPTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL3890218 0.81 MAPT (0.56) MAPTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL3887641 0.81 MAPK14 (0.53) MAPTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL6282401 0.79 ALDH1A1 (0.76) MAPTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL6285179 0.79 ALDH1A1 (0.83) MAPTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL6284661 0.77 KDM4E (0.59) MAPTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL25352230 0.76 MAPT (1.00) MAPTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL6279966 0.76 ALDH1A1 (0.61) MAPTKDM4EMAPK1SMN1; SMN2LMNA

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