SCHEMBL4444803

SCHEMBL4444803

CC(=O)Oc1cc2cccc3ccc4c(S(=O)(=O)O)c(S(=O)(=O)O)c(S(=O)(=O)O)c1c4c32

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
HPGD P15428 2/20 0.39
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 6/20 0.35
TSHR P16473 1/20 0.35
CASP6 P55212 1/20 0.34
MCL1 Q07820 1/20 0.33
HIF1A Q16665 1/20 0.33
ADORA3 P0DMS8 2/20 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
Hydrochloric Acid SCHEMBL9073780 0.99 KMT2A (0.45) KMT2AMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL9506000 0.99 KMT2A (0.45) KMT2AMAPTALDH1A1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL303051 0.99 KMT2A (0.45) KMT2AMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL218883 0.84 KMT2A (0.45) KMT2AMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL9073806 0.83 KMT2A (0.44) KMT2AMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL28385750 0.81 TXNRD1 (0.35) KMT2AMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL4450226 0.81 ALDH1A1 (0.49) KMT2AMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL28395879 0.78 KDM4E (0.30) MAPTALDH1A1KDM4EHPGD
SCHEMBL219666 0.77 MAPK1 (0.38) KMT2AMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL31030170 0.77 CYP1A2 (0.41) KMT2AMAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789839-B1 ION SENSOR AND A METHOD FOR PRODUCING SAME MINNESOTA MINING & MFG (US) 1999-12-01 EP claimed
EP-0789839-A1 ION SENSOR AND A METHOD FOR PRODUCING SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-20 EP claimed
US-5591400-A Method for producing an ionic sensor MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-07 US claimed
WO-1996013711-A1 ION SENSOR AND A METHOD FOR PRODUCING SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-09 WO claimed
WO-2009064773-A1 IMPLANTABLE CREATININE SENSOR AND RELATED METHODS CARDIAC PACEMAKERS, INC. (US) 2009-05-22 WO disclosed
US-20090124875-A1 Implantable Creatinine Sensor and Related Methods CARDIAC PACEMAKERS, INC. (US) 2009-05-14 US disclosed
EP-0936458-B1 Ion sensor TERUMO CARDIOVASCULAR SYS (US) 2004-12-15 EP disclosed
EP-0789839-B1 ION SENSOR AND A METHOD FOR PRODUCING SAME MINNESOTA MINING & MFG (US) 1999-12-01 EP disclosed
EP-0936458-A1 Ion sensor and a method for producing same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-08-18 EP disclosed
EP-0789839-A1 ION SENSOR AND A METHOD FOR PRODUCING SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-20 EP disclosed
US-5591400-A Method for producing an ionic sensor MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-07 US disclosed
WO-1996013711-A1 ION SENSOR AND A METHOD FOR PRODUCING SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-09 WO disclosed