SCHEMBL1979115

SCHEMBL1979115

O=S(=O)(O)c1cc2ccc(O)c3c(S(=O)(=O)O)cc4c(S(=O)(=O)O)ccc1c4c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ TNNI3 P19429 1/20 0.40
▸ TNNT2 P45379 1/20 0.40
▸ TNNC1 P63316 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ MPL P40238 7/20 0.39
▸ CTRC Q99895 2/20 0.39
▸ COMT P21964 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NT5E P21589 2/20 0.35
▸ CTRB1 P17538 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CDC7 O00311 1/20 0.33

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 0.84 TNNI3 (0.49) AURKBAURKATNNI3TNNT2TNNC1
SCHEMBL11527283 0.82 TNNI3 (0.48) AURKBAURKATNNI3TNNT2TNNC1
SCHEMBL11528724 0.80 AURKA (0.40) AURKBAURKATNNI3TNNT2TNNC1
SCHEMBL11231720 0.80 AURKA (0.47) AURKBAURKATNNI3TNNT2TNNC1
SCHEMBL30081118 0.80 AURKA (0.47) AURKBAURKATNNI3TNNT2TNNC1
SCHEMBL27678372 0.80 AURKA (0.47) AURKBAURKATNNI3TNNT2TNNC1
SCHEMBL15851419 0.78 CYP1A2 (0.46) AURKBAURKAMPLCTRCALDH1A1
SCHEMBL15489099 0.78 MPL (0.46) AURKBAURKATNNI3TNNT2TNNC1
SCHEMBL461763 0.77 TNNI3 (0.42) AURKBAURKATNNI3TNNT2TNNC1
SCHEMBL21113847 0.77 TNNI3 (0.42) AURKBAURKATNNI3TNNT2TNNC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107208145-A Multiplex quantitative PCR 端粒诊断公司 2017-09-26 — — CN disclosed
WO-2017027062-A1 PROBES FOR RAPID AND SPECIFIC DETECTION OF MYCOBACTERIA THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-02-16 — — WO disclosed
EP-2330908-A1 FLUORESCENT CDK INHIBITORS FOR TREATMENT OF CANCER Georgetown University (US) 2011-06-15 — — EP disclosed
WO-2010019967-A1 FLUORESCENT CDK INHIBITORS FOR TREATMENT OF CANCER GEORGETOWN UNIVERSITY (US) 2010-02-18 — — WO disclosed
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