SCHEMBL3965441

SCHEMBL3965441

NC(=O)C1N=C(c2ccccc2)c2ccccc2NC1=O.O=C(O)Oc1cccs1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
CCKBR P32239 13/20 0.44
CCKAR P32238 10/20 0.44
HDAC1 Q13547 1/20 0.44
CBLB Q13191 1/20 0.41

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
SCHEMBL3177281 0.86 MEN1 (0.60) MEN1ALDH1A1KMT2ACCKBRCCKAR
Thiophene Carboxylic Acid SCHEMBL643248 0.85 MEN1 (0.48) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL4416283 0.77 CCKBR (0.57) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL11831521 0.76 MEN1 (0.62) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL11822036 0.74 MEN1 (0.60) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL3186746 0.73 MEN1 (0.57) MEN1KMT2ACCKBRCCKAR
SCHEMBL3183396 0.73 CCKBR (0.48) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL641925 0.73 LMNA (0.70) MEN1KMT2ACCKBR
SCHEMBL8211856 0.71 MEN1 (0.77) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL3966426 0.70 CCKBR (0.53) CCKBRCCKAR

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