SCHEMBL6546374

SCHEMBL6546374

Cc1cc(C)cc(CC(=O)c2ccncc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
ALDH1A1 P00352 3/20 0.46
PLOD2 O00469 2/20 0.46
PLOD3 O60568 2/20 0.46
PLOD1 Q02809 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
PFKFB3 Q16875 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL6281618 0.86 GAA (0.59) GAAALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL7210143 0.85 PKM (0.49) ALDH1A1PLOD2PLOD3PLOD1CYP1A2
SCHEMBL1395223 0.84 RAB9A (0.64) ALDH1A1PLOD2PLOD3PLOD1CYP1A2
SCHEMBL7928075 0.81 KMT2A (0.53) ALDH1A1CYP3A4HPGDHIF1ARAB9A
SCHEMBL6203734 0.81 ALDH1A1 (0.55) GAAALDH1A1PLOD2PLOD3PLOD1
SCHEMBL2512740 0.80 RAB9A (0.64) GAACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1515846 0.76 ALDH1A1 (0.66) GAAALDH1A1PLOD2PLOD3PLOD1
SCHEMBL3073424 0.75 NT5E (0.55) GAAALDH1A1HPGDRAB9ANPC1
SCHEMBL8967686 0.75 KMT2A (0.42) GAAALDH1A1PLOD2PLOD3PLOD1
SCHEMBL28163187 0.74 GAA (0.54) GAAALDH1A1RAB9ANPC1L3MBTL1

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 5 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
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 WO disclosed