SCHEMBL8633394

SCHEMBL8633394

OC(c1ccccc1)c1cncs1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.45
SLC6A3 Q01959 11/20 0.42
IDO1 P14902 2/20 0.39
TDO2 P48775 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL2421458 0.84 TSHR (0.66) SMN1; SMN2TSHRSLC6A3L3MBTL1SLC6A2
SCHEMBL28752724 0.81 SLC6A3 (0.41) SMN1; SMN2TSHRSLC6A3IDO1HPGD
SCHEMBL14033955 0.81 SLC6A3 (0.45) TSHRSLC6A3IDO1TDO2HPGD
SCHEMBL31040275 0.81 TSHR (0.36) SMN1; SMN2TSHRIDO1
SCHEMBL2974022 0.81 SLC6A3 (0.45) TSHRSLC6A3IDO1TDO2SLC6A2
SCHEMBL23931525 0.80 IDO1 (0.43) TSHRSLC6A3IDO1TDO2SLC6A2
SCHEMBL30011604 0.80 IDO1 (0.43) TSHRSLC6A3IDO1TDO2SLC6A2
SCHEMBL23931527 0.80 IDO1 (0.43) TSHRSLC6A3IDO1TDO2SLC6A2
SCHEMBL7039736 0.79 ADRA2C (0.39) SMN1; SMN2TSHRSLC6A3SLC6A2
SCHEMBL8746252 0.78 CYP19A1 (0.44) TSHR

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
CN-1047169-C (1-phenyl-1-heterocyclyl) methanol and (1-phenyl-1-heterocyclyl) methylamine derivatives ASTRA AB (SE) 1999-12-08 CN claimed
US-5712299-A TREATMENT OF NEURODEGENERATIVE DISORDERS ASTRA AKTIEBOLAG (SE) 1998-01-27 US claimed
CN-1126991-A Novel (1-phenyl-1-heterocyclyl) methanol and (1-phenyl-1-heterocyclyl) methylamine derivatives ASTRA AB (SE) 1996-07-17 CN claimed
EP-0707574-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES Astra Aktiebolag (SE) 1996-04-24 EP claimed
WO-1995001968-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1995-01-19 WO claimed
US-5712299-A TREATMENT OF NEURODEGENERATIVE DISORDERS ASTRA AKTIEBOLAG (SE) 1998-01-27 US disclosed
CN-1126991-A Novel (1-phenyl-1-heterocyclyl) methanol and (1-phenyl-1-heterocyclyl) methylamine derivatives ASTRA AB (SE) 1996-07-17 CN disclosed
EP-0707574-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001968-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1995-01-19 WO disclosed