SCHEMBL6563712

SCHEMBL6563712

Cc1cc(C(=O)N(C)c2ccccc2)c(C)cc1C#CCN(C)c1ccc(C(=N)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
PPARG P37231 1/20 0.37
GRM5 P41594 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
NR1H3 Q13133 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
SCHEMBL6565295 0.87 PPARG (0.36) PLAUPPARGPOLBEGLN1
SCHEMBL6565956 0.85 PLAU (0.49) PLAUITGB3ITGA2BEGFRERBB2
SCHEMBL6563622 0.85 KMT2A (0.43) PPARGGRM5EGFRERBB2POLB
SCHEMBL6565497 0.84 PLAU (0.48) PLAUSIRT2TSHR
SCHEMBL7672235 0.78 PLAU (0.49) PLAUITGB3ITGA2BPPARGEGFR
SCHEMBL6565392 0.77 PLAU (0.44) PLAUITGB3ITGA2BSIRT2
SCHEMBL6563250 0.75 PLAU (0.54) PLAUITGB3ITGA2BSIRT2
SCHEMBL6565690 0.75 PLAU (0.54) PLAUITGB3ITGA2BSIRT2
SCHEMBL6565486 0.74 PLAU (0.41) PLAUITGB3ITGA2BSIRT2TSHR
SCHEMBL6565182 0.72 PPARG (0.41) PPARGEGLN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed