SCHEMBL11649088

SCHEMBL11649088

O=C(OC[C@H]1O[C@@H](n2c(=O)[nH]c(=O)c3nccnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ GAPDH P04406 2/20 0.44
▸ HRAS P01112 1/20 0.42
▸ GSK3A P49840 3/20 0.41
▸ RPS6KA3 P51812 3/20 0.41
▸ MAPK14 Q16539 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL24487795 0.81 MEN1 (0.61) MEN1USP2POLBKMT2ACA1
SCHEMBL11655633 0.81 MEN1 (0.61) MEN1USP2POLBKMT2ACA1
SCHEMBL13022843 0.80 MEN1 (0.56) MEN1USP2POLBKMT2ACA1
SCHEMBL10118025 0.79 MEN1 (0.59) MEN1USP2POLBKMT2ACA1
SCHEMBL17363863 0.79 MEN1 (0.61) MEN1USP2POLBKMT2ACA1
SCHEMBL16871758 0.78 MEN1 (0.58) MEN1USP2POLBKMT2ACA1
SCHEMBL16871858 0.78 MEN1 (0.58) MEN1USP2POLBKMT2ACA1
SCHEMBL14031995 0.78 MEN1 (0.58) MEN1USP2POLBKMT2ACA1
SCHEMBL7151601 0.78 MEN1 (0.62) MEN1USP2POLBKMT2ACA1
SCHEMBL6883237 0.78 GSK3A (0.62) MEN1USP2POLBKMT2AGSK3A

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
US-4082911-A PROCESS FOR THE PREPARATION OF NUCLEOSIDES SCHERING AKTIENGESELLSCHAFT (DT) 1978-04-04 — — US disclosed
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