SCHEMBL6377190

SCHEMBL6377190

NC(=O)c1nccn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2F)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ GAPDH P04406 2/20 0.42
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ HRAS P01112 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ ENPP1 P22413 1/20 0.34
▸ PNP P00491 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CA12 O43570 2/20 0.33

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
SCHEMBL7214846 0.92 MEN1 (0.55) MEN1USP2POLBKMT2ACA1
SCHEMBL13066041 0.92 MEN1 (0.55) MEN1USP2POLBKMT2ACA1
SCHEMBL6382549 0.92 MEN1 (0.55) MEN1USP2POLBKMT2ACA1
SCHEMBL6863803 0.90 PDE2A (0.43) MEN1USP2POLBKMT2ACA1
SCHEMBL6863805 0.90 PDE2A (0.43) MEN1USP2POLBKMT2ACA1
SCHEMBL6863798 0.90 PDE2A (0.43) MEN1USP2POLBKMT2ACA1
SCHEMBL6385429 0.84 ALDH1A1 (0.40) MEN1USP2POLBKMT2ACA1
SCHEMBL6381295 0.82 MEN1 (0.56) MEN1USP2POLBKMT2ACA1
SCHEMBL7215448 0.82 MEN1 (0.56) MEN1USP2POLBKMT2ACA1
SCHEMBL13065349 0.82 MEN1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256588-B1 NOVEL PYRAZINE DERIVATIVES OR SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES OR THE SALTS AND INTERMEDIATES FOR THE PREPARATION OF BOTH TOYAMA CHEMICAL CO LTD (JP) 2005-02-02 — — EP disclosed
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