SCHEMBL24942980

SCHEMBL24942980

COC(=O)C1CN(c2ccc3c(c2)Oc2cc(N4CC(C(=O)OC)C4)ccc2C32OC(=O)c3ccc(C(=O)NCCOCCOCCCCCCCl)cc32)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.39
▸ RORC P51449 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ TTR P02766 1/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ GSTP1 P09211 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ NAALAD2 Q9Y3Q0 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ HPGD P15428 1/20 0.31

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
SCHEMBL30112650 1.00 NT5E (0.39) NT5ERORCOPRM1TTRKCNH2
SCHEMBL24942508 0.94 NT5E (0.40) NT5ERORCOPRM1TTRKCNH2
SCHEMBL30112567 0.94 NT5E (0.40) NT5ERORCOPRM1TTRKCNH2
SCHEMBL30112627 0.92 NT5E (0.39) NT5ERORCOPRM1TTRKCNH2
SCHEMBL24942978 0.92 NT5E (0.39) NT5ERORCOPRM1TTRKCNH2
SCHEMBL18526322 0.89 NT5E (0.41) NT5ERORCOPRM1TTRKCNH2
SCHEMBL24942966 0.89 NT5E (0.39) NT5ERORCOPRM1TTRFOLH1
SCHEMBL30112798 0.89 NT5E (0.39) NT5ERORCOPRM1TTRFOLH1
SCHEMBL30112803 0.89 NT5E (0.39) NT5ERORCOPRM1TTRFOLH1
SCHEMBL23029076 0.88 OPRM1 (0.35) NT5EOPRM1KCNH2ALDH1A1LMNA

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-2023009503-A1 2-DIAZO-3-OXO-2,3-DIHYDROSPIRO[INDENE-1,9'-XANTHENE] DERIVATIVES AND SIMILAR COMPOUNDS AS PHOTOACTIVE FLUORESCENT COMPOUNDS FOR PROTEIN LABELING EIKON THERAPEUTICS INC. (US) 2023-02-02 — — WO disclosed
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