SCHEMBL10434945

SCHEMBL10434945

O=CN(c1cc2ccccc2[nH]1)C1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.61
CCKAR P32238 12/20 0.61
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.40

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
SCHEMBL10435089 0.78 CCKAR (0.49) CCKBRCCKARHDAC1
SCHEMBL9524770 0.76 CCKBR (1.00) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL9524763 0.76 CCKBR (1.00) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL8722186 0.75 CCKBR (0.60) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL9526018 0.73 CCKBR (0.58) CCKBRCCKAR
SCHEMBL8746516 0.71 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8746513 0.71 CCKBR (1.00) CCKBRCCKAR
SCHEMBL10434889 0.71 SENP1 (0.42) CCKBRCCKARHDAC1
SCHEMBL9842695 0.70 CCKBR (0.49) CCKBRCCKAR
SCHEMBL9525149 0.69 CCKBR (0.66) CCKBRCCKARMEN1ALDH1A1KMT2A

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-0349949-A2 Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-01-10 EP disclosed