SCHEMBL6561682

SCHEMBL6561682

CCCN(C(=O)CCC(=O)OCC)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.39
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
F2 P00734 13/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 8/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PRSS1 P07477 2/20 0.33
F7 P08709 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
SCHEMBL6563285 0.93 ITGB3 (0.39) NQO2ITGB3ITGA2BF2SMN1; SMN2
SCHEMBL6562287 0.91 F2 (0.41) ITGB3ITGA2BF2
SCHEMBL6563644 0.88 F2 (0.45) NQO2ITGB3ITGA2BF2SMN1; SMN2
SCHEMBL6563633 0.88 NQO2 (0.37) NQO2ITGB3ITGA2BF2F10
SCHEMBL6563607 0.88 ITGB3 (0.40) NQO2ITGB3ITGA2BF2F10
SCHEMBL7676372 0.87 F2 (0.43) F2
SCHEMBL6561955 0.86 SMN1; SMN2 (0.31) SMN1; SMN2LMNAMAPTTDP1
SCHEMBL6562044 0.85 NQO2 (0.37) NQO2ITGB3ITGA2BF2F10
SCHEMBL6562361 0.84 F2 (0.40) NQO2ITGB3ITGA2BF2F10
SCHEMBL6563331 0.84 F2 (0.43) ITGB3ITGA2BF2

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