SCHEMBL6848047

SCHEMBL6848047

Oc1csc(Cc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
RAB9A P51151 8/20 0.61
MAPT P10636 7/20 0.61
KMT2A Q03164 6/20 0.61
NPC1 O15118 6/20 0.61
MEN1 O00255 5/20 0.61
CD74 P04233 1/20 0.61
MIF P14174 1/20 0.61
HDAC1 Q13547 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC8 Q9BY41 1/20 0.55
OPRK1 P41145 2/20 0.55
SMN1; SMN2 Q16637 6/20 0.54
GAA P10253 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
LMNA P02545 3/20 0.53
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL10918996 0.78 HDAC1 (0.58) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL2583325 0.77 HDAC1 (0.51) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL11052563 0.77 HDAC1 (0.51) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL8432354 0.77 HDAC1 (0.51) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL6123166 0.77 HDAC1 (0.55) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL2056290 0.77 HDAC1 (0.51) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL1977126 0.77 HDAC1 (0.72) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL14133319 0.76 ALDH1A1 (0.64) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL10916542 0.74 HDAC1 (0.53) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL5656467 0.74 HDAC1 (0.55) ALDH1A1RAB9AMAPTKMT2ANPC1

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-0861843-B1 Fluorescent ionophoric compounds with a cryptand/crown-ether portion and a coumarin portion, their preparation and their use for measuring metal cation concentrations TERUMO CARDIOVASCULAR SYS (US) 2004-07-14 EP disclosed
EP-0649848-B1 Cation-sensing composite structure and compounds for use therein MINNESOTA MINING & MFG (US) 2003-05-07 EP disclosed
CN-1055288-C Cation-sensitive composite structures and compounds for use therein MINNESOTA MINING & MFG (US) 2000-08-09 CN disclosed
US-5958782-A FLUORESCENT IONOPHORIC COMPOUND IS DISCLOSED THAT INCLUDES A COMPLEXING MOIETY, SUCH AS A CRYPTAND OR CROWN-ETHER PORTION, AND A FLUORESCING MOIETY SUCH AS A COUMARIN PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-09-28 US disclosed
EP-0861843-A2 Fluorescent ionophoric compounds with a cryptand/crown-ether portion and a coumarin portion, their preparation and their use for measuring metal cation concentrations MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-09-02 EP disclosed
US-5672567-A PRE- AND POST-EMERGENCE ZENECA LIMITED (GB) 1997-09-30 US disclosed
US-5670453-A PYRAZINEARYL COMPOUND ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed
US-5474743-A A fluorescent ionophoric compound comprising a cryptand portion and a coumarin portion substituted at the 3-position with an electron withdrawing group MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-12 US disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 WO disclosed
CN-1106407-A Cation-sensitive composite structures and compounds for use therein MINNESOTA MINING & MFG (US) 1995-08-09 CN disclosed
EP-0649848-A1 Cation-sensing composite structure and compounds for use therein MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-26 EP disclosed