SCHEMBL9400749

SCHEMBL9400749

Cc1ccccc1SSS[S]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.39
HAO1 Q9UJM8 1/20 0.35
MCHR1 Q99705 1/20 0.33
HTR1A P08908 2/20 0.33
HTR3A P46098 2/20 0.33
ALDH1A1 P00352 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
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
SCHEMBL9067022 0.85 ACHE (0.47) ACHETSHRHAO1MCHR1HTR1A
SCHEMBL10702121 0.85 ACHE (0.47) ACHETSHRHAO1MCHR1HTR1A
SCHEMBL11310552 0.83 ACHE (0.45) ACHETSHRHAO1MCHR1HTR1A
SCHEMBL57312 0.80 ACHE (0.53) ACHETSHRHAO1MCHR1HTR1A
SCHEMBL29468536 0.80 ACHE (0.53) ACHETSHRHAO1MCHR1HTR1A
SCHEMBL29411690 0.80 ACHE (0.53) ACHETSHRHAO1MCHR1HTR1A
SCHEMBL4231323 0.78 ACHE (0.50) ACHETSHRHAO1MCHR1HTR1A
SCHEMBL1290462 0.75
SCHEMBL3892986 0.73 ACHE (0.45) ACHETSHRHAO1MCHR1HTR1A
SCHEMBL29723035 0.73 ACHE (0.45) ACHETSHRHAO1MCHR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310826-A Thiolic compound polymerization cocatalysts AKZO N.V. (NL) 1994-05-10 US disclosed
EP-0470139-A1 THIOLIC COMPOUND POLYMERIZATION COCATALYSTS. AKZO NV (NL) 1992-02-12 EP disclosed
WO-1990012826-A1 THIOLIC COMPOUND POLYMERIZATION COCATALYSTS AKZO N.V. (NL) 1990-11-01 WO disclosed