SCHEMBL7043722

SCHEMBL7043722

Cn1c(N2CCNCC2)nc2c(OC(N)=O)cccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BRPF1 P55201 1/20 0.36
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
PARP1 P09874 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
SOS1 Q07889 1/20 0.36

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
SCHEMBL7043340 0.96 CHRNB2 (0.39) MEN1KMT2AHTR3APARP1
SCHEMBL7041380 0.88 MEN1 (0.40) MEN1KMT2APARP1
SCHEMBL7045272 0.86 FLT3 (0.44) MEN1KMT2AHTR3ASOS1
SCHEMBL7046813 0.86 FLT3 (0.44) MEN1KMT2ASOS1
SCHEMBL7042935 0.85 HTR3A (0.42) HTR3ASOS1
SCHEMBL7042964 0.85 HTR3A (0.42) HTR3ASOS1
SCHEMBL7457531 0.85 HTR3A (0.37) HTR3A
SCHEMBL7041296 0.85 HTR3A (0.40) MEN1KMT2AHTR3ASOS1
SCHEMBL7038516 0.85 KMT2A (0.43) MEN1KMT2APARP1
SCHEMBL7039363 0.84 HTR3A (0.40) HTR3ASOS1

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-1133477-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-02-18 EP disclosed