SCHEMBL3968115

SCHEMBL3968115

O=C(NC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)Oc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
ALB P02768 1/20 0.56
KMT2A Q03164 1/20 0.56
CCKBR P32239 7/20 0.55
CCKAR P32238 1/20 0.55
CHRM1 P11229 1/20 0.51

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
SCHEMBL643718 0.85 CCKBR (0.62) MEN1LMNAALBKMT2ACCKBR
SCHEMBL3966426 0.83 CCKBR (0.53) CCKBRCCKAR
SCHEMBL4819173 0.83 MEN1 (0.69) MEN1LMNAALBKMT2ACCKBR
SCHEMBL3965192 0.83 MEN1 (0.55) MEN1LMNAALBKMT2ACCKBR
SCHEMBL8672699 0.82 CCKBR (0.62) MEN1LMNAALBKMT2ACCKBR
SCHEMBL1574149 0.81 CCKBR (0.62) MEN1LMNAALBKMT2ACCKBR
SCHEMBL644328 0.81 CCKBR (0.62) MEN1LMNAALBKMT2ACCKBR
SCHEMBL641962 0.81 MEN1 (0.66) MEN1LMNAALBKMT2ACCKBR
SCHEMBL3969425 0.81 MEN1 (0.55) MEN1LMNAALBKMT2ACCKBR
Cyclohexane SCHEMBL3971471 0.80 MEN1 (0.65) MEN1LMNAALBKMT2ACCKBR

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
EP-1727550-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-07-29 EP claimed