SCHEMBL8798735

SCHEMBL8798735

COc1ccc2c(c1)[S+]([O-])CN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
SNCA P37840 1/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BCL2 P10415 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL8799202 0.86 PDE3B (0.37) PDE3BPDE3ASNCAMAOAMAOB
SCHEMBL9685732 0.84 LTA4H (0.42) PDE3BPDE3AALDH1A1KDM4E
SCHEMBL9484787 0.81 ALDH1A1 (0.37) PDE3BPDE3AALDH1A1KMT2AMEN1
SCHEMBL9483334 0.81 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL9685993 0.71 TUBB4A (0.48) ALDH1A1GAACA2
SCHEMBL5727378 0.70 MAPT (0.39) SNCAALDH1A1KMT2AMAPTPOLB
SCHEMBL9685789 0.68 SKP2 (0.41) ALDH1A1MAPK1TSHRHSD17B10LMNA
SCHEMBL7647136 0.67 PDE3B (0.49) PDE3BPDE3ASNCAMAOAMAOB
SCHEMBL11698216 0.67 PDE3B (0.49) PDE3BPDE3ASNCAMAOAMAOB
SCHEMBL9483054 0.67 ATM (0.41) ALDH1A1KMT2AMAPTPOLBKDM4E

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