SCHEMBL10117976

SCHEMBL10117976

Nc1nc(=O)n(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c2[nH]cnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ GAPDH P04406 2/20 0.43
▸ P2RX3 P56373 2/20 0.42
▸ P2RX4 Q99571 2/20 0.42
▸ P2RX2 Q9UBL9 2/20 0.42
▸ HRAS P01112 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ P2RY11 Q96G91 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GSK3A P49840 2/20 0.37
▸ RPS6KA3 P51812 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ HINT1 P49773 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
SCHEMBL6786908 1.00 MEN1 (0.53) MEN1USP2POLBKMT2ACA1
SCHEMBL309414 0.87 MEN1 (0.54) MEN1USP2POLBKMT2ACA1
SCHEMBL10117981 0.83 MEN1 (0.56) MEN1USP2POLBKMT2ACA1
SCHEMBL10117982 0.81 POLB (0.53) MEN1USP2POLBKMT2ACA1
SCHEMBL309885 0.79 MEN1 (0.56) MEN1USP2POLBKMT2ACA1
SCHEMBL13243123 0.79 MEN1 (0.56) MEN1USP2POLBKMT2ACA1
SCHEMBL10117980 0.79 MEN1 (0.56) MEN1USP2POLBKMT2ACA1
SCHEMBL13242389 0.79 POLB (0.56) MEN1USP2POLBKMT2ACA1
SCHEMBL10118025 0.79 MEN1 (0.59) MEN1USP2POLBKMT2ACA1
SCHEMBL14274473 0.78 MEN1 (0.53) MEN1USP2POLBKMT2ACA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093380-B2 Viricides, antitumor agents, anticancer agents PHARMASSET, INC. (US) 2012-01-10 — — US disclosed
US-8093380-B2 Viricides, antitumor agents, anticancer agents PHARMASSET, INC. (US) 2012-01-10 — — US disclosed
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