SCHEMBL8558581

SCHEMBL8558581

CC(=O)OCCc1sc(NC(=O)c2cc3ccccc3n2CC(=O)O)nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CCKAR P32238 1/20 0.49
TRPV4 Q9HBA0 6/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PLTP P55058 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8560930 0.91 KMT2A (0.41) KMT2AMEN1CCKARTRPV4MAPT
SCHEMBL8558589 0.82 MEN1 (0.46) KMT2AMEN1CCKARTRPV4MAPT
SCHEMBL8558579 0.81 KMT2A (0.48) KMT2AMEN1CCKARALDH1A1HSD17B10
SCHEMBL8556721 0.80 TRPV4 (0.44) KMT2AMEN1TRPV4MAPTALDH1A1
SCHEMBL8557539 0.77 TRPV4 (0.46) KMT2ATRPV4MAPTALDH1A1HSD17B10
SCHEMBL9125033 0.77 TRPV4 (0.41) KMT2AMEN1CCKARTRPV4MAPT
SCHEMBL8896197 0.72 KMT2A (0.54) KMT2AMEN1CCKARMAPTALDH1A1
SCHEMBL8560928 0.72 KMT2A (0.39) KMT2AMEN1CCKARALDH1A1TSHR
SCHEMBL8560935 0.72 ALDH1A1 (0.40) KMT2AMEN1CCKARTRPV4MAPT
SCHEMBL7684903 0.71 KMT2A (0.42) KMT2AMEN1CCKARTRPV4PLTP

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