SCHEMBL12459063

SCHEMBL12459063

CC(C)C(=O)Nc1nc2c(ncn2[C@H]2O[C@@H](COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ TAS1R3 Q7RTX0 2/20 0.47
▸ TAS1R1 Q7RTX1 2/20 0.47
▸ P2RX3 P56373 1/20 0.47
▸ P2RX4 Q99571 1/20 0.47
▸ P2RX2 Q9UBL9 1/20 0.47
▸ PNP P00491 1/20 0.46
▸ GSK3A P49840 2/20 0.45
▸ RPS6KA3 P51812 2/20 0.45
▸ MAPK14 Q16539 2/20 0.45
▸ HINT1 P49773 2/20 0.44
▸ GAPDH P04406 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL2032731 1.00 MEN1 (0.51) MEN1USP2POLBKMT2AKDM4E
SCHEMBL12582835 1.00 MEN1 (0.51) MEN1USP2POLBKMT2AKDM4E
SCHEMBL29558174 0.89 KDM4E (0.46) MEN1USP2POLBKMT2AKDM4E
SCHEMBL23827894 0.89 KDM4E (0.46) MEN1USP2POLBKMT2AKDM4E
SCHEMBL29557868 0.89 KDM4E (0.46) MEN1USP2POLBKMT2AKDM4E
SCHEMBL29558873 0.88 TAS1R3 (0.45) MEN1USP2POLBKMT2AKDM4E
SCHEMBL29558193 0.88 TAS1R3 (0.45) MEN1USP2POLBKMT2AKDM4E
SCHEMBL29558256 0.88 TAS1R3 (0.45) MEN1USP2POLBKMT2AKDM4E
SCHEMBL12582838 0.86 PNP (0.48) KDM4ETAS1R3TAS1R1PNPGSK3A
SCHEMBL22401432 0.86 MEN1 (0.55) MEN1USP2POLBKMT2AKDM4E

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
WO-2011103468-A2 PHOSPHORAMIDITES FOR SYNTHETIC RNA IN THE REVERSE DIRECTION CHEMGENES CORPORATION (US) 2011-08-25 — — WO disclosed
Send feedback