SCHEMBL7238671

SCHEMBL7238671

N#CCCCn1c(CO)cc2cc(OCc3c(Cl)cccc3Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.35
WEE1 P30291 1/20 0.35
MAOA P21397 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7240541 0.84 MCL1 (0.49)
SCHEMBL7239430 0.83 MCL1 (0.42)
SCHEMBL7238527 0.83 CHEK1 (0.36) CHEK1WEE1SMN1; SMN2
SCHEMBL7241215 0.80 MCL1 (0.42) MAOASMN1; SMN2
SCHEMBL7237841 0.80 MCL1 (0.39)
SCHEMBL7240115 0.79 ALOX5AP (0.34) CHEK1WEE1
SCHEMBL7240113 0.79 ALOX5AP (0.34) CHEK1WEE1
SCHEMBL7237631 0.79 MCL1 (0.44)
SCHEMBL7238919 0.78 CNR2 (0.42)
SCHEMBL7240554 0.78 SMN1; SMN2 (0.34) CHEK1WEE1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608059-B1 Treating bacterial infections SMITHKLINE BEECHAM CORPORATION 2003-08-19 US disclosed