SCHEMBL6563285

SCHEMBL6563285

CCOC(=O)CCC(=O)N(CC)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
NQO2 P16083 1/20 0.38
F2 P00734 13/20 0.35
F10 P00742 9/20 0.35
PRSS1 P07477 2/20 0.34
F7 P08709 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL6561682 0.93 NQO2 (0.39) ITGB3ITGA2BNQO2F2F10
SCHEMBL6561902 0.91 F2 (0.40) ITGB3ITGA2BF2
SCHEMBL6563644 0.90 F2 (0.45) ITGB3ITGA2BNQO2F2F10
SCHEMBL6563607 0.88 ITGB3 (0.40) ITGB3ITGA2BNQO2F2F10
SCHEMBL6562361 0.85 F2 (0.40) ITGB3ITGA2BNQO2F2F10
SCHEMBL6565483 0.85 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL6563633 0.84 NQO2 (0.37) ITGB3ITGA2BNQO2F2F10
SCHEMBL6562287 0.84 F2 (0.41) ITGB3ITGA2BF2
SCHEMBL6562044 0.83 NQO2 (0.37) ITGB3ITGA2BNQO2F2F10
SCHEMBL6563705 0.83 PRSS1 (0.35) ITGB3ITGA2BNQO2F2F10

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