SCHEMBL18320638

SCHEMBL18320638

O=C(O)c1cc(C(=O)O)c2c(n1)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ SPR P35270 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ASPH Q12797 1/20 0.37
▸ KDM8 Q8N371 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ PRNP P04156 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL18320808 0.88 POLB (0.40) POLBKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL18320768 0.85 KDM4E (0.40) POLBKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL18328058 0.82 KDM4E (0.39) POLBKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL14206628 0.82 POLB (0.43) POLBKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL18362975 0.81 NOS3 (0.51) POLBKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL31266744 0.81 POLB (0.49) POLBKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL4782685 0.81 POLB (0.49) POLBKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL14206660 0.81 POLB (0.49) POLBKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL12072208 0.77 RXFP1 (0.48) POLBKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL31396339 0.76 KDM4E (0.44) POLBKDM4EL3MBTL1ALDH1A1TDP1

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-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 — — WO disclosed
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