SCHEMBL11366252

SCHEMBL11366252

COc1ccc2nc(SC(C(=O)O)c3ccccc3)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.60
PDK1 Q15118 1/20 0.56
ACP1 P24666 1/20 0.52
SCD O00767 6/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ATAD2 Q6PL18 1/20 0.47

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
SCHEMBL11398156 0.88 PPARA (0.55) PPARAPDK1ACP1SCDKMT2A
SCHEMBL11393160 0.88 PPARA (0.72) PPARAKMT2AMEN1MAPTNPC1
SCHEMBL11398625 0.86 PPARA (0.61) PPARASCDMAPTLMNA
SCHEMBL11368015 0.83 PPARA (0.65) PPARASCDKMT2AMEN1MAPT
SCHEMBL11368265 0.82 PPARA (0.82) PPARAACP1MAPTNPC1
SCHEMBL7322651 0.81 PPARA (0.72) PPARAPDK1KMT2AMEN1MAPT
SCHEMBL2844427 0.80 PPARA (0.62) PPARAACP1KMT2AMEN1MAPT
SCHEMBL11392794 0.79 PPARA (0.67) PPARAKMT2AMEN1MAPTNPC1
SCHEMBL11407040 0.79 PPARA (0.70) PPARAKMT2AMEN1MAPTNPC1
SCHEMBL11394315 0.79 PPARA (0.70) PPARAKMT2AMEN1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4294839-A Benzothiazole derivatives and pharmaceutical formulations containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-10-13 US disclosed
EP-0030632-A2 Benzothiazole derivatives, pharmaceutical compositions containing them and process for their preparation MERCK PATENT GmbH (DE) 1981-06-24 EP disclosed