SCHEMBL27353179

SCHEMBL27353179

CC(Cc1ccon1)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 3/20 0.32
P4HB P07237 1/20 0.31
PKM P14618 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL1912968 0.79
SCHEMBL12089199 0.73 ALDH1A1 (0.39) ALDH1A1TDP1NPC1RAB9APKM
SCHEMBL24387840 0.73 PDE10A (0.31) ALDH1A1TDP1
SCHEMBL29695145 0.71
SCHEMBL12092576 0.71
SCHEMBL24387621 0.70 SLC6A4 (0.30) SLC6A4
SCHEMBL24387782 0.70 SCN10A (0.41) TDP1
SCHEMBL16246585 0.69 ALDH1A1 (0.31) ALDH1A1TDP1NPC1PKM
Hydrochloric Acid SCHEMBL27132275 0.69 SCN10A (0.40) TDP1
Hydrochloric Acid SCHEMBL26965366 0.69 SCN10A (0.40) TDP1

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
CN-1032239-C Process for selective removal of inorganic and/or organic sulfur-containing compounds UBE INDUSTRIES (JP) 1996-07-10 CN disclosed
CN-1063052-A The method of selective removal of inorganic and/or sulfur-containing organic compound UBE INDUSTRIES (JP) 1992-07-29 CN disclosed