SCHEMBL8799202

SCHEMBL8799202

COc1ccc2c(c1)NC[S+]2[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
HTR5A P47898 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SNCA P37840 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35
BCL2 P10415 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL8798735 0.86 PDE3B (0.41) PDE3BPDE3AMEN1KMT2APOLB
SCHEMBL9685732 0.74 LTA4H (0.42) PDE3BPDE3AALDH1A1KDM4E
SCHEMBL9484787 0.72 ALDH1A1 (0.37) PDE3BPDE3AMEN1KMT2AMAPK1
SCHEMBL9483334 0.72 ALDH1A1 (0.48) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL11698216 0.67 PDE3B (0.49) PDE3BPDE3AHTR5AMEN1KMT2A
SCHEMBL7647136 0.67 PDE3B (0.49) PDE3BPDE3AHTR5AMEN1KMT2A
SCHEMBL20551035 0.67 NOX1 (0.50) HTR5AMEN1KMT2APOLBMAPK1
SCHEMBL18916808 0.65 KCNH2 (0.49) PDE3BPDE3AHSD17B10TSHRBCL2
SCHEMBL28960338 0.63 PDE3B (0.41) PDE3BPDE3AHTR5AMEN1KMT2A
SCHEMBL29242101 0.62 SNCA (0.63) PDE3BPDE3AHTR5AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506539-B1 Heterocyclic alkylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-05-02 EP disclosed
US-5436348-A Sleep disorders ADIR ET COMPAGNIE (FR) 1995-07-25 US disclosed
US-5386034-A Treatment of sleeping, psychological and nervous system disorders; anxiolytic agents, ovulation regulators ADIR ET COMPAGNIE (FR) 1995-01-31 US disclosed
US-5326775-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-07-05 US disclosed
US-5322843-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-06-21 US disclosed
US-5322849-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-06-21 US disclosed
US-5300507-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-04-05 US disclosed
US-5240919-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1993-08-31 US disclosed
EP-0506539-A1 Heterocyclic alkylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-09-30 EP disclosed