SCHEMBL9509616

SCHEMBL9509616

NCC(O)c1ccc(O)c(CS(N)(=O)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 5/20 0.59
TDP1 Q9NUW8 4/20 0.59
KDM4E B2RXH2 4/20 0.59
MAPT P10636 3/20 0.59
RECQL P46063 3/20 0.59
ADRB3 P13945 3/20 0.59
APEX1 P27695 3/20 0.59
TAAR1 Q96RJ0 3/20 0.59
ADRB2 P07550 3/20 0.59
HPGD P15428 2/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 2/20 0.59
ADRB1 P08588 2/20 0.59
ADRA2A P08913 2/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
ADRA1D P25100 2/20 0.59
MEN1 O00255 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
DRD2 P14416 1/20 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
SCHEMBL5121214 1.00 BLM (0.59) BLMTDP1KDM4EMAPTRECQL
SCHEMBL15061878 0.81 BLM (0.65) BLMTDP1KDM4EMAPTRECQL
SCHEMBL7152531 0.80 ADRB2 (0.67) BLMTDP1KDM4EMAPTRECQL
SCHEMBL2852257 0.80 ADRB2 (0.67) BLMTDP1KDM4EMAPTRECQL
L-Norepinephrine SCHEMBL10427349 0.78 BLM (0.82) BLMTDP1KDM4EMAPTRECQL
Norepinephrine SCHEMBL9659883 0.78 BLM (0.82) BLMTDP1KDM4EMAPTRECQL
Norepinephrine SCHEMBL9659319 0.78 BLM (0.82) BLMTDP1KDM4EMAPTRECQL
L-Norepinephrine SCHEMBL9659893 0.78 BLM (0.82) BLMTDP1KDM4EMAPTRECQL
L-Norepinephrine SCHEMBL9659315 0.78 BLM (0.82) BLMTDP1KDM4EMAPTRECQL
Norepinephrine SCHEMBL10427348 0.78 BLM (0.82) BLMTDP1KDM4EMAPTRECQL

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
EP-0322164-B1 ETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-09-22 EP disclosed
US-5039697-A Adrenergic stimulants, bronchodilators GLAXO GROUP LIMITED (GB) 1991-08-13 US disclosed
US-5032609-A Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1991-07-16 US disclosed
US-5002966-A Adrenergic Stimulants GLAXO GROUP LIMITED (GB) 1991-03-26 US disclosed
US-4963564-A ADRENERGIC STIMULANTS GLAXO GROUP LTD. (GB) 1990-10-16 US disclosed
EP-0322164-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-06-28 EP disclosed
EP-0303465-A2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP disclosed