SCHEMBL18973893

SCHEMBL18973893

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCC(O)CCOOPO)c2cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.61
▸ KMT2A Q03164 7/20 0.61
▸ USP2 O75604 4/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ HTT P42858 4/20 0.61
▸ MAPT P10636 3/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ RXFP1 Q9HBX9 2/20 0.61
▸ IDO1 P14902 1/20 0.61
▸ HAT1 O14929 4/20 0.54
▸ RBBP7 Q16576 4/20 0.54
▸ RECQL P46063 3/20 0.54
▸ CASP7 P55210 3/20 0.54
▸ CASP1 P29466 2/20 0.54
▸ BRCA1 P38398 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ TST Q16762 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HBB P68871 1/20 0.54

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
SCHEMBL19489384 0.84 MEN1 (0.64) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL18137145 0.84 MEN1 (0.64) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL10251439 0.80 MEN1 (0.61) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL10252106 0.80 MEN1 (0.58) MEN1KMT2AUSP2KDM4EHTT
Potassium Ion SCHEMBL864332 0.79 MEN1 (0.59) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL19372586 0.78 MEN1 (0.74) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL22803355 0.78 MEN1 (0.74) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL14335564 0.77 MEN1 (0.74) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL14335748 0.77 MEN1 (0.77) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL29959592 0.77 MEN1 (0.77) MEN1KMT2AUSP2KDM4EHTT

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-2016144909-A9 HIGH pH ORGANIC FLOW BATTERY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-15 — — WO disclosed
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