SCHEMBL11190020

SCHEMBL11190020

C[S+]([O-])c1cc(C(O)CN)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.59
BLM P54132 5/20 0.59
MAPT P10636 5/20 0.59
KDM4E B2RXH2 5/20 0.59
RECQL P46063 4/20 0.59
APEX1 P27695 4/20 0.59
ADRB3 P13945 4/20 0.59
TAAR1 Q96RJ0 3/20 0.59
MAPK1 P28482 3/20 0.59
ADRB2 P07550 3/20 0.59
ADRB1 P08588 3/20 0.59
ADRA2A P08913 3/20 0.59
ADRA2B P18089 3/20 0.59
ADRA2C P18825 3/20 0.59
ADRA1D P25100 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HPGD P15428 2/20 0.59
LMNA P02545 2/20 0.59
ADORA3 P0DMS8 2/20 0.59

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
Acetic Acid SCHEMBL11192104 0.93 BLM (0.54) TDP1BLMMAPTKDM4ERECQL
SCHEMBL11372987 0.79 BLM (0.38) TDP1BLMMAPTKDM4ERECQL
SCHEMBL11268911 0.78 ADRB2 (0.60) TDP1BLMMAPTKDM4ERECQL
SCHEMBL11192109 0.76 GAA (0.34) TDP1BLMMAPTKDM4ERECQL
SCHEMBL11192107 0.76 NFKB1 (0.43) TDP1BLMMAPTKDM4ERECQL
Norepinephrine SCHEMBL2429869 0.75 TDP1 (1.00) TDP1BLMMAPTKDM4ERECQL
Norepinephrine SCHEMBL2609 0.75 TDP1 (1.00) TDP1BLMMAPTKDM4ERECQL
L-Norepinephrine SCHEMBL3489077 0.75 TDP1 (1.00) TDP1BLMMAPTKDM4ERECQL
L-Norepinephrine SCHEMBL29460319 0.75 TDP1 (1.00) TDP1BLMMAPTKDM4ERECQL
L-Norepinephrine SCHEMBL29371849 0.75 TDP1 (1.00) TDP1BLMMAPTKDM4ERECQL

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
US-4379166-A Arylmethoxy-, arylmethylthio-, heteroarylmethoxy-, and heteroarylmethylthio-alkylaminoalcohols SCHERING CORPORATION (US) 1983-04-05 US disclosed