SCHEMBL10644355

SCHEMBL10644355

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
PABPC1 P11940 1/20 0.51
KMT2A Q03164 1/20 0.51
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
NPC1 O15118 1/20 0.36
PKM P14618 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.34
PTGES O14684 6/20 0.32
MAPT P10636 1/20 0.31
ADORA2B P29275 1/20 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
SCHEMBL10643552 0.89 MEN1 (0.48) MEN1PABPC1KMT2ACA12CA1
Mitozolomide SCHEMBL97695 0.88 MEN1 (0.64) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3336603 0.84 MEN1 (0.47) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3336299 0.84 MEN1 (0.47) MEN1PABPC1KMT2ACA12CA1
Water SCHEMBL10648619 0.83 MEN1 (0.46) MEN1PABPC1KMT2ACA12CA1
SCHEMBL23588609 0.83 MEN1 (0.54) MEN1PABPC1KMT2ACA12CA1
SCHEMBL10648478 0.81 MEN1 (0.44) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3337129 0.81 MEN1 (0.63) MEN1PABPC1KMT2ACA12CA1
SCHEMBL891953 0.81 MEN1 (0.51) MEN1PABPC1KMT2ACA12CA1
SCHEMBL10646126 0.80 CA12 (0.48) MEN1PABPC1KMT2ACA12CA1

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