SCHEMBL8558579

SCHEMBL8558579

CC(=O)OC(C)c1sc(NC(=O)c2cc3ccccc3n2CC(=O)O)nc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CCKAR P32238 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F10 P00742 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
RORC P51449 1/20 0.38
ROCK1 Q13464 1/20 0.38
CNR2 P34972 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 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
SCHEMBL8560928 0.90 KMT2A (0.39) KMT2AMEN1CCKARALDH1A1RAB9A
SCHEMBL8558581 0.81 KMT2A (0.49) KMT2AMEN1CCKARL3MBTL1ALDH1A1
SCHEMBL8556719 0.78 GRM5 (0.44) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL8558589 0.76 MEN1 (0.46) KMT2AMEN1CCKARL3MBTL1ALDH1A1
SCHEMBL9125026 0.76 RORC (0.38) KMT2AMEN1CCKARALDH1A1RAB9A
SCHEMBL8557533 0.75 NPC1 (0.46) KMT2ACCKARL3MBTL1ALDH1A1RAB9A
SCHEMBL8560930 0.73 KMT2A (0.41) KMT2AMEN1CCKARALDH1A1RAB9A
SCHEMBL7688738 0.70 MEN1 (0.46) KMT2AMEN1CCKARF10CNR2
SCHEMBL8896197 0.70 KMT2A (0.54) KMT2AMEN1CCKARL3MBTL1ALDH1A1
SCHEMBL9125033 0.68 TRPV4 (0.41) KMT2AMEN1CCKARALDH1A1TSHR

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
EP-0518731-B1 2-(Indol-2-yl-carbonylamino)-thiazole derivatives, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-08-26 EP disclosed
US-5380736-A Cholecystokinin and gastric antagonist ELF SANOFI (FR) 1995-01-10 US disclosed
US-5314889-A Hormone antagonists ELF SANOFI (FR) 1994-05-24 US disclosed
EP-0518731-A1 Heterocyclic derivatives of substituted 2-acylamino 5-thiazole, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-12-16 EP disclosed