SCHEMBL9776459

SCHEMBL9776459

Clc1ccc2c(c1)Sc1c[c]ccc1S2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
NOX1 Q9Y5S8 2/20 0.37
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2A6 P11509 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL4929830 0.81
SCHEMBL9511257 0.81 BCHE (0.48) BCHEACHENOX1HPGDL3MBTL1
SCHEMBL9508955 0.81 BCHE (0.48) BCHEACHENOX1HPGDL3MBTL1
SCHEMBL129912 0.74 MAOA (0.37) BCHEACHENOX1
SCHEMBL9507758 0.74 BCHE (0.59) BCHEACHENOX1HPGDL3MBTL1
SCHEMBL29216514 0.74 GAA (0.40) BCHEACHENOX1
SCHEMBL17876644 0.69 CYP2A6 (0.60) BCHEACHENOX1HPGDL3MBTL1
SCHEMBL208424 0.67 CYP2A6 (0.50) CYP2A6
SCHEMBL208460 0.67 CYP2A6 (0.50) CYP2A6
SCHEMBL9511388 0.67 TSHR (0.43) BCHEACHENOX1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5069991-A NAPHTHOLACTAM OR ISINDOLENINE DYE BASF AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0364890-A2 Panchromatic electrophotographical recording element BASF Aktiengesellschaft (DE) 1990-04-25 EP disclosed
US-4906541-A Electrophotographic recording element containing a naphtholactam dye sensitizer BASF AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed
EP-0318758-A2 Multilayered electrophotographical recording material BASF Aktiengesellschaft (DE) 1989-06-07 EP disclosed