SCHEMBL6545480

SCHEMBL6545480

CC(C)(C)c1ccc(-c2nc(N3CCCC3=O)sc2-c2ccncc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
KIF11 P52732 1/20 0.40
EP300 Q09472 2/20 0.38
GCGR P47871 1/20 0.38
KMT2A Q03164 1/20 0.37
PRKCI P41743 2/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL6545818 0.86 PRKCI (0.43) KIF11EP300GCGRKMT2APRKCI
SCHEMBL6546266 0.86 KMT2A (0.53) L3MBTL1GCGRKMT2AHPGDALDH1A1
SCHEMBL6546712 0.83 EP300 (0.43) KIF11EP300GCGRKMT2APRKCI
SCHEMBL6546638 0.82 L3MBTL1 (0.45) L3MBTL1KMT2AHPGDALDH1A1HSD17B10
SCHEMBL6546200 0.75 KIF11 (0.41) KIF11EP300GCGRKMT2APRKCI
SCHEMBL6279799 0.73 MAPT (0.58) KIF11EP300GCGRKMT2AHPGD
SCHEMBL6545946 0.73 MAPT (0.58) KIF11EP300GCGRKMT2AHPGD
SCHEMBL6545799 0.72 KMT2A (0.52) GCGRKMT2AHPGDALDH1A1HSD17B10
SCHEMBL15269254 0.71 PTGS2 (0.57) ALDH1A1TP53LMNAHTTKDM4E
SCHEMBL6545699 0.69 KMT2A (0.54) GCGRKMT2AHPGDALDH1A1HSD17B10

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