SCHEMBL8394491

SCHEMBL8394491

CCOC(=O)c1ncn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2F)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAPDH P04406 2/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ P2RX3 P56373 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ TYMP P19971 2/20 0.40
▸ HRAS P01112 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ ENPP1 P22413 1/20 0.39
▸ NT5E P21589 1/20 0.38
▸ P2RY11 Q96G91 1/20 0.38
▸ STING1 Q86WV6 1/20 0.38

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
SCHEMBL8394489 1.00 GAPDH (0.47) GAPDHMEN1USP2POLBKMT2A
SCHEMBL7795029 0.91 MEN1 (0.48) GAPDHMEN1USP2POLBKMT2A
SCHEMBL7795025 0.91 MEN1 (0.48) GAPDHMEN1USP2POLBKMT2A
SCHEMBL8637665 0.90 MEN1 (0.44) GAPDHMEN1USP2POLBKMT2A
SCHEMBL8637662 0.90 MEN1 (0.44) GAPDHMEN1USP2POLBKMT2A
SCHEMBL7797736 0.89 MEN1 (0.48) GAPDHMEN1USP2POLBKMT2A
SCHEMBL7797732 0.89 MEN1 (0.48) GAPDHMEN1USP2POLBKMT2A
SCHEMBL7798922 0.88 MEN1 (0.45) GAPDHMEN1USP2POLBKMT2A
SCHEMBL7798924 0.88 MEN1 (0.45) GAPDHMEN1USP2POLBKMT2A
SCHEMBL11655811 0.83 GAPDH (0.56) GAPDHMEN1USP2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886167-A NUCLEOSIDE ANTIBIOTIC; A COFORMYCIN DERIVATIVE; ENZYME INHIBITOR; USEFUL FOR TREATING LYMPHOCYTIC LEUKEMIA CAUSED BY ADENOSINE DEAMINASE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1999-03-23 — — US disclosed
US-5773607-A MULTISTAGE PROCESS WITH REDUCTION AND CYCLIZATION FOR FORMATION OF ENZYME INHIBITORS OF ADENOSINE DEAMINASE AS ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS AND BACTERICIDES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-06-30 — — US disclosed
EP-0643069-B1 2'-DEOXY-2'-FLUOROCOFORMYCIN AND STEREOISOMERS THEREOF ZAIDAN HOJIN BISEIBUTSU (JP) 1997-03-05 — — EP disclosed
Send feedback