SCHEMBL7814155

SCHEMBL7814155

O=C(S)Cc1ncccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 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
NCOA3 Q9Y6Q9 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
SCHEMBL6648266 0.85 MAPT (0.48) PDE10APOLBLMNAALDH1A1MAPT
SCHEMBL6648261 0.85 MAPT (0.48) PDE10APOLBLMNAALDH1A1MAPT
SCHEMBL5264598 0.84 MAPT (0.47) PDE10APOLBLMNAALDH1A1MAPT
SCHEMBL5264594 0.84 MAPT (0.47) PDE10APOLBLMNAALDH1A1MAPT
SCHEMBL7814152 0.81 MEN1 (0.48) PDE10APOLBLMNAALDH1A1MAPT
SCHEMBL15709862 0.80 LMNA (0.61) PDE10APOLBLMNAALDH1A1MAPT
SCHEMBL3769047 0.80 PDE10A (0.51) PDE10APOLBLMNAALDH1A1MAPT
SCHEMBL31213729 0.79 ALDH1A1 (0.53) PDE10APOLBLMNAALDH1A1MAPT
SCHEMBL5787352 0.78 MAPT (0.52) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL30132805 0.78 MAPT (0.52) LMNAALDH1A1MAPTRAB9ANPC1

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