SCHEMBL7307424

SCHEMBL7307424

NCc1ccc(NC(=S)NC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
EPHX1 P07099 4/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
PLG P00747 2/20 0.46
KLK1 P06870 2/20 0.46
KLK6 Q92876 2/20 0.46
POLB P06746 1/20 0.46
KLKB1 P03952 2/20 0.44
PLK1 P53350 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43

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
SCHEMBL16193023 0.83 MAPT (0.54) RAB9AALDH1A1LMNAKLKB1
SCHEMBL111906 0.81 PLG (0.53) PLGKLK1KLK6KLKB1
SCHEMBL28109108 0.80 ALDH1A1 (0.65) RAB9ANPC1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7444704 0.80 PLG (0.54) PLGKLK1KLK6KLKB1
SCHEMBL7311970 0.79 PLG (0.48) PLGKLK1KLK6KLKB1
SCHEMBL27602582 0.78 IDO1 (0.60) SMN1; SMN2ALDH1A1
SCHEMBL23728134 0.77 EPHX1 (0.71) SMN1; SMN2RAB9ANPC1EPHX1ALDH1A1
SCHEMBL6833494 0.77 ALDH1A1 (0.56) SMN1; SMN2HPGDALDH1A1PLGKLKB1
SCHEMBL27517715 0.76 ALDH1A1 (0.54) SMN1; SMN2HPGDALDH1A1PLGKLKB1
SCHEMBL27323392 0.76 KLKB1 (0.50) RAB9ANPC1PLGKLK1KLK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1050534-B1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2001-12-05 EP disclosed
US-6288077-B1 2-AZABICYCLO(3.1.0)HEXANE-1,2-DICARBOXYLIC AMIDE OR 2-AZABICYCLO(4.1.0)HEPTANE-1,2-DICARBOXYLIC AMIDE DERIVATIVE; TRYPSIN-LIKE SERINE PROTEASE INHIBITOR; ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-09-11 US disclosed
EP-1050534-A1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-11-08 EP disclosed