SCHEMBL5000661

SCHEMBL5000661

Cn1ncc(C(CCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)NC=O)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.34
KIF11 P52732 1/20 0.32
KCNN4 O15554 1/20 0.30

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
SCHEMBL5009200 0.94 KIF11 (0.33) DUTKIF11KCNN4
SCHEMBL5000668 0.84 MEN1 (0.31)
SCHEMBL5009203 0.79
SCHEMBL4199966 0.73 DUT (0.38) DUTKIF11KCNN4
SCHEMBL4202974 0.72 DUT (0.37) DUTKIF11KCNN4
SCHEMBL4199825 0.70 KCNN4 (0.35) DUTKIF11KCNN4
SCHEMBL4202432 0.70 CNR1 (0.35)
SCHEMBL5148585 0.70 MEN1 (0.38)
SCHEMBL5148558 0.69 MEN1 (0.33)
SCHEMBL4199230 0.69 BRD9 (0.36) KCNN4

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-1994035-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
WO-2007119511-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS ASTELLAS PHARMA INC. (JP) 2007-10-25 WO disclosed