SCHEMBL20740635

SCHEMBL20740635

O=Nc1c(C(=O)O)ccc(C(=O)O)c1N=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ SELL P14151 1/20 0.42
▸ SELP P16109 1/20 0.42
▸ TSHR P16473 4/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ ASPH Q12797 1/20 0.40
▸ KDM8 Q8N371 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HMGB1 P09429 1/20 0.39
▸ CA4 P22748 1/20 0.39

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
SCHEMBL9617936 0.89 CYP1A2 (0.42) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL30924957 0.89 CYP1A2 (0.42) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL4367127 0.89 CYP1A2 (0.42) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL19261768 0.84 ALDH1A1 (0.55) CYP1A2ALDH1A1ALOX15TSHRCA12
SCHEMBL7691220 0.82 SELL (0.59) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL7260865 0.77 WDR5 (0.61) ALDH1A1ALOX15KDM4EHPGDMAPT
SCHEMBL25676744 0.77 KDM4E (0.43) CYP1A2ALDH1A1KDM4EHPGDMAPT
SCHEMBL19005982 0.77 SELL (0.65) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL3175174 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL19606166 0.77 ALDH1A1 (0.56) ALDH1A1ALOX15SELLSELPTSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105121539-B Cross-linked composite particle and secondary cell comprising it 株式会社LG 化学 2018-09-28 — — CN claimed
CN-105121539-A Crosslinked composite particles and secondary battery comprising same LG CHEMICAL LTD 2015-12-02 — — CN claimed
EP-2966120-B1 CROSS-LINKED COMPOUND PARTICLES AND SECONDARY BATTERY COMPRISING SAME LG CHEMICAL LTD (KR) 2019-02-20 — — EP disclosed
CN-105121539-B Cross-linked composite particle and secondary cell comprising it 株式会社LG 化学 2018-09-28 — — CN disclosed
CN-105121539-A Crosslinked composite particles and secondary battery comprising same LG CHEMICAL LTD 2015-12-02 — — CN disclosed
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