SCHEMBL10648478

SCHEMBL10648478

CC(C)OC(=O)c1ncn2c(=O)n(CCCl)nnc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
PABPC1 P11940 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
ADORA1 P30542 3/20 0.31

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
SCHEMBL10644355 0.81 MEN1 (0.51) MEN1PABPC1KMT2AHPGDCA12
SCHEMBL10643552 0.81 MEN1 (0.48) MEN1PABPC1KMT2ACA12CA1
Mitozolomide SCHEMBL97695 0.80 MEN1 (0.64) MEN1PABPC1KMT2ALMNAALDH1A1
SCHEMBL3336603 0.80 MEN1 (0.47) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3336299 0.80 MEN1 (0.47) MEN1PABPC1KMT2ACA12CA1
Water SCHEMBL10648619 0.79 MEN1 (0.46) MEN1PABPC1KMT2ACA12CA1
SCHEMBL10648222 0.78 MAPT (0.41) MEN1PABPC1KMT2ALMNAALDH1A1
SCHEMBL10646126 0.76 CA12 (0.48) MEN1PABPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3337129 0.74 MEN1 (0.63) MEN1PABPC1KMT2ALMNAALDH1A1
SCHEMBL10648543 0.74 CA12 (0.42) MEN1PABPC1KMT2ALMNAALDH1A1

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-0252682-A2 Tetrazines MAY & BAKER LIMITED (GB) 1988-01-13 EP disclosed