SCHEMBL7782080

SCHEMBL7782080

OC1C=CC(=S)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
GPR3 P46089 1/20 0.30
HTR2A P28223 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
SCHEMBL8415579 0.75 CYP2D6 (0.39) CYP2D6HDAC3HDAC4HDAC7HDAC8
SCHEMBL7782767 0.75 HTR2A (0.34) GPR3HTR2A
SCHEMBL29724650 0.70 CYP2D6 (0.31) CYP2D6
SCHEMBL2210400 0.69 MAOA (0.42) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL8693899 0.69 HTR2A (0.41) CYP2D6MAOAMAOBHTR2A
SCHEMBL30990099 0.69 HTR2A (0.41) CYP2D6MAOAMAOBHTR2A
SCHEMBL197033 0.69 HTR2A (0.41) CYP2D6MAOAMAOBHTR2A
SCHEMBL31297722 0.69 HTR2A (0.41) CYP2D6MAOAMAOBHTR2A
SCHEMBL29430337 0.69 HTR2A (0.41) CYP2D6MAOAMAOBHTR2A
SCHEMBL8693987 0.69 HTR2A (0.41) CYP2D6MAOAMAOBHTR2A

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
US-6303822-B1 Aromatic hydroxythiol synthesis using diazonium salts ALLIEDSIGNAL INC. 2001-10-16 US disclosed
EP-1140816-A1 AROMATIC HYDROXYTHIOL SYNTHESIS USING DIAZONIUMSALTS AlliedSignal Inc. (US) 2001-10-10 EP disclosed
WO-2000037439-A1 AROMATIC HYDROXYTHIOL SYNTHESIS USING DIAZONIUM SALTS ALLIEDSIGNAL INC. (US) 2000-06-29 WO disclosed
US-6054622-A Aromatic hydroxythiol synthesis using diazonium salts ALLIEDSIGNAL INC (US) 2000-04-25 US disclosed
US-RE28760-E Photographic element including superimposed silver halide layers of different speeds EASTMAN KODAK COMPANY (US) 1976-04-06 US disclosed