SCHEMBL6994743

SCHEMBL6994743

O=C(C=CC(=O)c1cccs1)c1cccs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.69
KMT2A Q03164 7/20 0.69
MEN1 O00255 6/20 0.69
TP53 P04637 6/20 0.69
MAPK1 P28482 4/20 0.69
ALDH1A1 P00352 8/20 0.65
CYP3A4 P08684 3/20 0.65
HPGD P15428 3/20 0.65
GAA P10253 2/20 0.65
HSD17B10 Q99714 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
KDM4E B2RXH2 2/20 0.65
ALOX15 P16050 1/20 0.65
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
CES2 O00748 1/20 0.62

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
SCHEMBL6994738 1.00 MAPT (0.69) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL11246434 0.92 MAPT (0.66) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL11329160 0.92 MAPT (0.66) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL3246328 0.89 MAPT (0.62) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL11601466 0.89 MAPT (0.62) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL3246325 0.89 MAPT (0.62) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL4482364 0.87 MAPT (0.61) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL9049322 0.87 MAPT (0.61) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL9049329 0.87 MAPT (0.61) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL10001770 0.86 MAPT (0.59) MAPTKMT2AMEN1TP53MAPK1

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-0921119-B1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-07-02 EP disclosed
US-6114360-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-09-05 US disclosed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed
EP-0921119-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-09 EP disclosed