SCHEMBL8765228

SCHEMBL8765228

O=[N+]([O-])c1ccccc1OCCCCS(=O)(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
RECQL P46063 2/20 0.66
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 4/20 0.52
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
PKM P14618 1/20 0.49
STAT1 P42224 1/20 0.49
POLB P06746 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL9294716 0.99 NPC1 (0.64) NPC1RAB9ARECQLCYP2D6CYP2C19
SCHEMBL9294710 0.85 NPC1 (0.66) NPC1RAB9ARECQLCYP2D6CYP2C19
SCHEMBL9642715 0.82 NPC1 (0.89) NPC1RAB9ARECQLCYP2D6CYP2C19
SCHEMBL16057079 0.81 NPC1 (0.74) NPC1RAB9ARECQLCYP2D6CYP2C19
SCHEMBL17197375 0.81 NPC1 (0.68) NPC1RAB9ARECQLCYP2D6CYP2C19
SCHEMBL9187561 0.81 NPC1 (1.00) NPC1RAB9ARECQLCYP2D6CYP2C19
SCHEMBL8956094 0.80 NPC1 (0.72) NPC1RAB9ARECQLCYP2D6CYP2C19
SCHEMBL28009686 0.80 NPC1 (0.72) NPC1RAB9ARECQLCYP2D6CYP2C19
SCHEMBL9257179 0.80 NPC1 (0.62) NPC1RAB9ARECQLCYP2D6CYP2C19
SCHEMBL7343243 0.80 NPC1 (0.77) NPC1RAB9ARECQLCYP2D6CYP2C19

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
EP-0512926-B1 Self-doped conductive polyanilines and process for their preparation ALCATEL NV (NL) 1997-07-30 EP disclosed
WO-1992019666-A1 SELF-DOPED CONDUCTIVE POLYANILINES AND METHOD OF PREPARATION ALCATEL N.V. (NL) 1992-11-12 WO disclosed
EP-0512926-A1 Self-doped conductive polyanilines and process for their preparation ALCATEL N.V. (NL) 1992-11-11 EP disclosed