SCHEMBL6937511

SCHEMBL6937511

CC(C)c1ccccc1OCC(=O)Nc1nc2[nH]cnc2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.41
ALPL P05186 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
ALOX12 P18054 1/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3236094 0.84 ALOX15 (0.58) KMT2ASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL1970068 0.82 NPC1 (0.58) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL17552159 0.75 TRPV1 (0.48) KMT2ALMNASMN1; SMN2RAB9ANPC1
SCHEMBL12227604 0.75 GDA (0.45) KMT2ASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2623146 0.74 ALDH1A1 (0.54) KMT2ASMN1; SMN2MEN1MAPK1ALDH1A1
SCHEMBL442818 0.72 NOS1 (0.45) KMT2ALMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL12227599 0.72 GDA (0.45) KMT2ASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL219477 0.71 GDA (0.62) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL1425017 0.70 ADORA2A (0.52) KMT2ALMNASMN1; SMN2RAB9ANPC1
SCHEMBL2623145 0.69 ALPL (0.51) KMT2ALMNASMN1; SMN2RAB9ANPC1

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
US-6573045-B1 Reporter molecule and RNA target molecule, both carrying a fluorescent or chromogenic group, placed in close proximity to each other; addition of test compound inhibits their binding and increases fluorescence; drug screening RIBOTARGETS, LTD. (GB) 2003-06-03 US disclosed
EP-1144681-A3 METHODS AND KITS FOR DISCOVERY OF RNA-BINDING COMPOUNDS RiboTargets Limited (GB) 2001-11-28 EP disclosed
EP-1144681-A2 METHODS AND KITS FOR DISCOVERY OF RNA-BINDING COMPOUNDS RiboTargets Limited (GB) 2001-10-17 EP disclosed
WO-1999064625-A2 METHODS AND KITS FOR DISCOVERY OF RNA-BINDING COMPOUNDS RIBOTARGETS LIMITED (GB) 1999-12-16 WO disclosed