SCHEMBL11527283

SCHEMBL11527283

O=S(=O)(O)c1cc2c(S(=O)(=O)O)ccc3c(S(=O)(=O)O)cc4c(O)ccc1c4c32.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNNI3 P19429 1/20 0.48
▸ TNNT2 P45379 1/20 0.48
▸ TNNC1 P63316 1/20 0.48
▸ HKDC1 Q2TB90 1/20 0.48
▸ AURKA O14965 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ COMT P21964 1/20 0.42
▸ LDHA P00338 1/20 0.38
▸ MPL P40238 7/20 0.38
▸ CTRC Q99895 1/20 0.37
▸ NT5E P21589 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ATIC P31939 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL95762 0.98 TNNI3 (0.49) TNNI3TNNT2TNNC1HKDC1AURKA
SCHEMBL21113847 0.91 TNNI3 (0.42) TNNI3TNNT2TNNC1HKDC1AURKA
SCHEMBL461763 0.91 TNNI3 (0.42) TNNI3TNNT2TNNC1HKDC1AURKA
SCHEMBL30081118 0.87 AURKA (0.47) TNNI3TNNT2TNNC1HKDC1AURKA
SCHEMBL461765 0.87 TNNI3 (0.42) TNNI3TNNT2TNNC1HKDC1AURKA
SCHEMBL11231720 0.87 AURKA (0.47) TNNI3TNNT2TNNC1HKDC1AURKA
SCHEMBL11528724 0.84 AURKA (0.40) TNNI3TNNT2TNNC1HKDC1AURKA
SCHEMBL1979115 0.82 AURKB (0.44) TNNI3TNNT2TNNC1HKDC1AURKA
SCHEMBL11524521 0.82 AURKA (0.54) TNNI3TNNT2TNNC1HKDC1AURKA
SCHEMBL14742104 0.81 AURKA (0.46) TNNI3TNNT2TNNC1HKDC1AURKA

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
US-4136229-A SECURITY PAPER SOCIETE ANONYME DITE: ARJOMARI-PRIOUX (FR) 1979-01-23 — — US disclosed
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