SCHEMBL6687050

SCHEMBL6687050

O=S(=O)(O)c1ccc2ccc3c(S(=O)(=O)O)c(O)c(S(=O)(=O)O)c4ccc1c2c34

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 2/20 0.40
MEN1 O00255 3/20 0.36
THRB P10828 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
COMT P21964 1/20 0.35
MPL P40238 5/20 0.34
CYP2C9 P11712 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL18315988 0.98 CTRB1 (0.42) CTRB1AURKAAURKBCYP1A2CYP2D6
SCHEMBL18315990 0.98 CTRB1 (0.42) CTRB1AURKAAURKBCYP1A2CYP2D6
SCHEMBL6135405 0.89 AURKA (0.40) CTRB1AURKAAURKBCYP1A2CYP2D6
SCHEMBL10001904 0.85 AURKA (0.47) CTRB1AURKAAURKBCYP1A2MEN1
SCHEMBL433199 0.85 AURKA (0.44) CTRB1AURKAAURKBCYP1A2CYP2D6
SCHEMBL30349926 0.85 AURKA (0.44) CTRB1AURKAAURKBCYP1A2CYP2D6
SCHEMBL11528264 0.83 AURKA (0.46) CTRB1AURKAAURKBCYP1A2MEN1
SCHEMBL6535450 0.83 AURKA (0.38) CTRB1AURKAAURKBCYP1A2CYP2D6
SCHEMBL28048029 0.82 AURKA (0.42) CTRB1AURKAAURKBCYP1A2CYP2D6
SCHEMBL3822788 0.82 AURKA (0.42) CTRB1AURKAAURKBCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111133312-A Methods for diagnosing and treating lung cancer 萨维塞尔诊断有限公司 2020-05-08 CN claimed
EP-3060607-B1 SOL-GEL BASED MATRIX UNIV COPENHAGEN (DK) 2018-05-30 EP claimed
CN-117460818-A Nanometer vesicle reactor and preparation method thereof 基础科学研究院 2024-01-26 CN disclosed
CN-111133312-A Methods for diagnosing and treating lung cancer 萨维塞尔诊断有限公司 2020-05-08 CN disclosed
WO-2018178992-A9 METHOD AND SYSTEM FOR SEPARATING BIOMOLECULES FROM A MIXTURE CONTAINING SAME RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2019-06-20 WO disclosed
CN-105492502-B Organic phosphor functionalized nano-particles and composition comprising it 伦斯莱尔工艺研究院 2018-09-21 CN disclosed
CN-108028302-A Rubbery materials for immobilizing proteins and their use in lighting, diagnostics and biocatalysis IMDEA材料基金会 2018-05-11 CN disclosed
WO-2004072267-A2 ENZYMES INCYTE CORPORATION (US) 2004-08-26 WO disclosed
WO-2004003162-A2 ENZYMES INCYTE CORPORATION (US) 2004-01-08 WO disclosed
WO-2003093439-A2 ENZYMES INCYTE CORPORATION (US) 2003-11-13 WO disclosed
EP-0667318-B1 Fluorescent tracer in sludge dewatering NALCO CHEMICAL CO (US) 1998-12-02 EP disclosed
EP-0667318-A1 Fluorescent tracer in sludge dewatering NALCO CHEMICAL COMPANY (US) 1995-08-16 EP disclosed
US-5413719-A To determine optimum amount of polyelectrolyte NALCO CHEMICAL COMPANY (US) 1995-05-09 US disclosed