SCHEMBL7814152

SCHEMBL7814152

O=[N+]([O-])c1cccnc1CC(O)=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.47
PDE10A Q9Y233 1/20 0.46
POLB P06746 1/20 0.45
PAX8 Q06710 1/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
CTSB P07858 2/20 0.42
CYP1A2 P05177 2/20 0.42
HSP90AA1 P07900 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
NCOA1 Q15788 1/20 0.42

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
SCHEMBL6648261 0.85 MAPT (0.48) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL6648266 0.85 MAPT (0.48) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL5264598 0.84 MAPT (0.47) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL5264594 0.84 MAPT (0.47) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL7814155 0.81 PDE10A (0.46) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL6369459 0.80 PDE10A (0.49) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL3769047 0.80 PDE10A (0.51) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL8566533 0.78 ALDH1A1 (0.53) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL15709862 0.77 LMNA (0.61) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL10970697 0.76 ALDH1A1 (0.56) MEN1KMT2ARAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed