SCHEMBL9260474

SCHEMBL9260474

BrCCCCOCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3582663 0.98 TDP1 (0.50) TDP1MEN1KMT2AIDO1HRH3
SCHEMBL7286496 0.98 TDP1 (0.50) TDP1MEN1KMT2AIDO1HRH3
SCHEMBL9262163 0.98 TDP1 (0.50) TDP1MEN1KMT2AIDO1HRH3
SCHEMBL9574258 0.98 TDP1 (0.50) TDP1MEN1KMT2AIDO1HRH3
SCHEMBL9258414 0.92 TDP1 (0.52) TDP1MEN1KMT2AIDO1HRH3
SCHEMBL7099472 0.92 IDO1 (0.53) TDP1MEN1KMT2AIDO1HRH3
SCHEMBL454150 0.90 TDP1 (0.53) TDP1MEN1KMT2AIDO1HRH3
SCHEMBL9262777 0.90 IDO1 (0.52) TDP1MEN1KMT2AIDO1HRH3
SCHEMBL7621746 0.90 TDP1 (0.53) TDP1MEN1KMT2AIDO1HRH3
SCHEMBL6942905 0.90 TDP1 (0.53) TDP1MEN1KMT2AIDO1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995019336-A1 PHENYL ETHANOL AMINE ETHERS AND USES THEREOF AS β-ADRENO-RECEPTOR AGONISTS IOVIS BIOMEDICAL AND PHARMACEUTICAL CONSULTANTS (NL) 1995-07-20 WO disclosed
US-5243076-A Adrenergic stimulant intermediates GLAXO GROUP LTD. 1993-09-07 US disclosed
US-5225445-A Respiratory system disorders GLAXO GROUP LTD. 1993-07-06 US disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
US-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 US disclosed
EP-0155177-B1 UNSATURATED CYCLIC AMIDO-SUBSTITUTED ETHER COMPOUNDS AND PREPARATION PROCESS THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-31 EP disclosed