SCHEMBL6565486

SCHEMBL6565486

CCOC(=O)Cc1cc(C#CCNc2ccc(C(=N)N)cc2)c(C)cc1C(=O)N(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.41
NQO2 P16083 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
F2 P00734 6/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
F10 P00742 1/20 0.35
TSHR P16473 1/20 0.35
SENP1 Q9P0U3 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6565392 0.91 PLAU (0.44) PLAUNQO2SIRT2F2ITGB3
SCHEMBL6565956 0.87 PLAU (0.49) PLAUSIRT2F2ITGB3ITGA2B
SCHEMBL6565367 0.86 TSHR (0.31) PLAUTSHRSENP1MEN1KMT2A
SCHEMBL7806866 0.85 NR1I2 (0.40) SIRT2F2TSHRSENP1
SCHEMBL6563250 0.82 PLAU (0.54) PLAUNQO2SIRT2F2ITGB3
SCHEMBL6565690 0.82 PLAU (0.54) PLAUNQO2SIRT2F2ITGB3
SCHEMBL6561673 0.77 PRSS1 (0.35) F2ITGB3ITGA2BF10TSHR
SCHEMBL6563144 0.76 ITGB3 (0.38) PLAUNQO2F2ITGB3ITGA2B
SCHEMBL7672248 0.76 F2 (0.40) PLAUF2F10
SCHEMBL6561967 0.75 F2 (0.42) PLAUNQO2F2F10MEN1

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed