SCHEMBL6545818

SCHEMBL6545818

CC(C)(C)c1ccc(-c2nc(N3CCCNC3=O)sc2-c2ccncc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.43
EP300 Q09472 2/20 0.42
KIF11 P52732 1/20 0.40
GCGR P47871 1/20 0.37
KMT2A Q03164 1/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PTGS2 P35354 1/20 0.34
FBP1 P09467 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
SCHEMBL6546712 0.94 EP300 (0.43) PRKCIEP300KIF11GCGRKMT2A
SCHEMBL6545799 0.86 KMT2A (0.52) GCGRKMT2AHPGDALDH1A1HSD17B10
SCHEMBL6545480 0.86 L3MBTL1 (0.41) PRKCIEP300KIF11GCGRKMT2A
SCHEMBL6545710 0.83 ADORA3 (0.41) PRKCIHPGDALDH1A1HSD17B10KDM4E
SCHEMBL6545699 0.79 KMT2A (0.54) GCGRKMT2AHPGDALDH1A1HSD17B10
SCHEMBL6546200 0.76 KIF11 (0.41) PRKCIEP300KIF11GCGRKMT2A
SCHEMBL6546319 0.76 ADORA3 (0.43) KMT2AHPGDALDH1A1HSD17B10TSHR
SCHEMBL6279799 0.72 MAPT (0.58) EP300KIF11GCGRKMT2AHPGD
SCHEMBL6545946 0.72 MAPT (0.58) EP300KIF11GCGRKMT2AHPGD
SCHEMBL6546266 0.72 KMT2A (0.53) 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 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