SCHEMBL8566446

SCHEMBL8566446

COC(=S)NC(=O)c1cc2c([nH]c1=O)CCN(Cc1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.42
KMT2A Q03164 2/20 0.41
ACHE P22303 3/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
AKR1B1 P15121 1/20 0.41
ABCB1 P08183 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL8567999 0.85 SLC6A5 (0.43) SLC6A5KMT2AACHEHPGDPOLB
SCHEMBL8561824 0.85 SLC6A5 (0.47) SLC6A5KMT2AACHEHPGDPOLB
SCHEMBL16264683 0.82 SLC6A5 (0.49) SLC6A5KMT2AACHEHPGDAKR1B1
SCHEMBL9256480 0.82 HPGD (0.51) SLC6A5KMT2AACHEHPGDAKR1B1
Hydrochloric Acid SCHEMBL4793706 0.81 HPGD (0.50) SLC6A5KMT2AACHEHPGDAKR1B1
SCHEMBL31376614 0.80 MEN1 (0.50) SLC6A5KMT2AACHEHPGDAKR1B1
SCHEMBL8563163 0.80 MEN1 (0.48) SLC6A5KMT2AACHEAKR1B1LMNA
SCHEMBL8628851 0.80 SLC6A5 (0.41) SLC6A5KMT2AACHEHPGDPOLB
SCHEMBL8566270 0.79 GAA (0.47) SLC6A5KMT2AAKR1B1KDM4EMEN1
SCHEMBL16264684 0.76 SLC6A5 (0.45) SLC6A5KMT2AACHEHPGDAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588500-B1 3-Oxadiazolyl-1,6-naphthyridine derivatives with affinity for benzodiazepine receptors DAINIPPON PHARMACEUTICAL CO (JP) 1998-11-04 EP disclosed
US-5424433-A Benzodiazepine receptor agonist DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US disclosed
US-5424434-A Intramolecular cyclodehydration with a phosphorus(III) compound and a dialkyl azodicarboxylate in presence of a base to form a benzodiazepine receptor agonist, anxiolytic agent DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US disclosed
US-5367078-A Benzodiazine receptor agonists DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1994-11-22 US disclosed
EP-0588500-A2 3-Oxadiazolyl-1,6-naphthyridine derivatives with affinity for benzodiazepine receptors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed