SCHEMBL7296162

SCHEMBL7296162

N#CCC1CSc2sccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 4/20 0.34
NPC1 O15118 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
PPARG P37231 1/20 0.32
RAB9A P51151 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7373118 0.85 MAPK1 (0.39) MAPK1ALDH1A1HTTNPC1NPSR1
SCHEMBL11569730 0.67 ALDH1A1 (0.37) MAPK1ALDH1A1HTTNPC1NPSR1
Iodide SCHEMBL7288456 0.64 HTT (0.37) MAPK1ALDH1A1HTTNPC1NPSR1
SCHEMBL11533101 0.63 KMT2A (0.40) ALDH1A1HTTNPC1POLBPPARG
SCHEMBL9029422 0.60
SCHEMBL11247401 0.59 CYP19A1 (0.55) ALDH1A1MAPT
SCHEMBL7299136 0.58 TMIGD3 (0.32)
SCHEMBL6100478 0.55 HTR2C (0.47)
SCHEMBL10513879 0.55 ALDH1A1 (0.43) MAPK1ALDH1A1HTTNPC1NPSR1
SCHEMBL9594662 0.55 HPGD (0.51) MAPK1ALDH1A1HTTNPC1NPSR1

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-0426018-B1 Thiophene compounds and their pharmaceutical uses YOSHITIOMI PHARMACEUTICAL IND (JP) 1997-08-27 EP disclosed
EP-0729960-A1 Thiophene compounds and their use as intermediates in the preparation of antianxiety drugs, hypnotics, antiepileptic drugs and nuotropics YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-09-04 EP disclosed
US-5329016-A Antianxiety, hypnotic agents, antiepileptic agents or nootropics YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-07-12 US disclosed
US-5175162-A Anxiolytic, antiepilepic agents YOSHITIOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1992-12-29 US disclosed
EP-0426018-A2 Thiophene compounds and their pharmaceutical uses YOSHITIOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-05-08 EP disclosed