SCHEMBL8200985

SCHEMBL8200985

O=S(=O)(c1ccccc1)N1CCN(c2nc(Cc3ccc(O)cc3)ns2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HSD11B1 P28845 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL2003352 0.89 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2005153 0.89 PKM (0.54) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL13270639 0.86 KMT2A (0.48) SMN1; SMN2KMT2AMEN1HSD11B1LMNA
SCHEMBL2004686 0.82 PKM (0.58) RAB9ASMN1; SMN2PKMNPSR1KMT2A
SCHEMBL3058037 0.81 MAPT (0.46) SMN1; SMN2PKMKMT2AMEN1HSD11B1
SCHEMBL12569067 0.80 PKM (0.56) RAB9ASMN1; SMN2PKMKDM4ENPSR1
SCHEMBL3055762 0.79 LMNA (0.49) RAB9ASMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL2006326 0.78 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2006592 0.78 MEN1 (0.47) SMN1; SMN2PKMKDM4ENPSR1KMT2A
SCHEMBL2007289 0.78 MEN1 (0.47) SMN1; SMN2PKMKDM4ENPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed