SCHEMBL7794947

SCHEMBL7794947

Nc1ccn([C@H]2C[C@H](O)[C@@H](C(O)Cl)O2)c(=O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.49
PDE3A Q14432 3/20 0.49
CACNA1F O60840 2/20 0.49
ALB P02768 2/20 0.49
MAPT P10636 2/20 0.49
CACNA1D Q01668 2/20 0.49
CACNA1S Q13698 2/20 0.49
CACNA1C Q13936 2/20 0.49
THRB P10828 1/20 0.45
MTOR P42345 1/20 0.45
MDM2 Q00987 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
NT5E P21589 1/20 0.45
POLG P54098 2/20 0.44
ADRB1 P08588 1/20 0.44
DNMT1 P26358 1/20 0.44
PDE4D Q08499 1/20 0.43
SLC29A1 Q99808 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
SCHEMBL5666376 0.92 POLB (0.53) POLBLMNAPDE3ACACNA1FALB
SCHEMBL28799641 0.92 POLB (0.53) POLBLMNAPDE3ACACNA1FALB
SCHEMBL3449196 0.90 POLB (0.51) POLBLMNAPDE3ACACNA1FALB
SCHEMBL51649 0.89 POLB (0.50) POLBLMNAPDE3ACACNA1FALB
SCHEMBL4201132 0.89 POLB (0.50) POLBLMNAPDE3ACACNA1FALB
SCHEMBL3178721 0.89 POLB (0.50) POLBLMNAPDE3ACACNA1FALB
SCHEMBL4199985 0.89 POLB (0.50) POLBLMNAPDE3ACACNA1FALB
SCHEMBL127179 0.89 POLB (0.50) POLBLMNAPDE3ACACNA1FALB
SCHEMBL13471863 0.89 POLB (0.50) POLBLMNAPDE3ACACNA1FALB
SCHEMBL3896397 0.87 POLB (0.48) POLBLMNAPDE3ACACNA1FALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109295026-A A kind of transformation of N- deoxyribose transferase I I directed evolution and biocatalysis application 清华大学 2019-02-01 CN disclosed
EP-1156827-A2 TREATMENT OF NEOPLASTIC DISEASES BY RADIATION Halogenetics, Inc. (US) 2001-11-28 EP disclosed
WO-2000051639-A9 TREATMENT OF NEOPLASTIC DISEASES BY RADIATION HALOGENETICS INC (US) 2001-10-25 WO disclosed
WO-2000051639-A2 TREATMENT OF NEOPLASTIC DISEASES BY RADIATION HALOGENETICS, INC. (US) 2000-09-08 WO disclosed
EP-0160079-B1 METHOD AND MATERIALS FOR SENSITIZING NEOPLASTIC TISSUE TO RADIATION GREER, Sheldon B. (US) 1990-01-31 EP disclosed
US-4894364-A ANTITUMOR AGENTS HALOGENETICS, INC. 1990-01-16 US disclosed
EP-0160079-A4 METHOD AND MATERIALS FOR SENSITIZING NEOPLASTIC TISSUE TO RADIATION. GREER SHELDON B 1986-05-14 EP disclosed
EP-0160079-A1 METHOD AND MATERIALS FOR SENSITIZING NEOPLASTIC TISSUE TO RADIATION. GREER SHELDON B 1985-11-06 EP disclosed
WO-1985001871-A1 METHOD AND MATERIALS FOR SENSITIZING NEOPLASTIC TISSUE TO RADIATION GREER SHELDON B 1985-05-09 WO disclosed