SCHEMBL10620698

SCHEMBL10620698

N#CC1=C([O-])N([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C+]=N1

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 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CA9 Q16790 3/20 0.51
▸ GAPDH P04406 2/20 0.42
▸ HRAS P01112 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ PTPN1 P18031 2/20 0.38
▸ F11 P03951 2/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ MAPT P10636 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
SCHEMBL10620684 0.86 ALDH1A1 (0.48) MEN1USP2POLBKMT2ACA1
SCHEMBL10624065 0.80 LMNA (0.47) CA1CA2CA9ALDH1A1GALR3
SCHEMBL10706978 0.75 MEN1 (0.56) MEN1USP2POLBKMT2ACA1
SCHEMBL10620690 0.74 MEN1 (0.54) MEN1USP2POLBKMT2ACA1
SCHEMBL5746383 0.74 MEN1 (0.54) MEN1USP2POLBKMT2ACA1
SCHEMBL24941146 0.73 USP2 (0.52) MEN1USP2POLBKMT2ACA1
SCHEMBL10865013 0.73 USP2 (0.52) MEN1USP2POLBKMT2ACA1
SCHEMBL10864836 0.73 USP2 (0.52) MEN1USP2POLBKMT2ACA1
SCHEMBL7148935 0.73 USP2 (0.52) MEN1USP2POLBKMT2ACA1
SCHEMBL7213369 0.73 USP2 (0.52) 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-4728729-A ANTITUMOR, IMMUNOSUPPRESSANT SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1988-03-01 — — US claimed
US-4728729-A ANTITUMOR, IMMUNOSUPPRESSANT SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1988-03-01 — — US disclosed
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