SCHEMBL6563500

SCHEMBL6563500

Cc1cc(N(CCC(=O)O)S(=O)(=O)c2ccccc2)c(C)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.40
F2 P00734 9/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
HPN P05981 3/20 0.35
TMPRSS6 Q8IU80 2/20 0.35

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
SCHEMBL6563563 0.93 SMN1; SMN2 (0.38) PLAUF2KEAP1NFE2L2SMN1; SMN2
SCHEMBL6563711 0.86 ADAM17 (0.47) KEAP1NFE2L2
SCHEMBL6564229 0.82 F2 (0.43) F2HPN
SCHEMBL6563331 0.80 F2 (0.43) F2
SCHEMBL6563704 0.80 KEAP1 (0.34) KEAP1NFE2L2SMN1; SMN2ALDH1A1HPGD
SCHEMBL6563611 0.80 ITGB3 (0.38) PLAUF2
SCHEMBL7676372 0.80 F2 (0.43) F2
SCHEMBL6564165 0.79 F2 (0.41) PLAUF2HPN
SCHEMBL6562287 0.79 F2 (0.41) F2
SCHEMBL6562064 0.79 ADAM17 (0.43) F2KEAP1NFE2L2MAPT

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