SCHEMBL20852478

SCHEMBL20852478

N=C(N)NCC(O)c1cc(O)ccc1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.41
▸ ADRA2B P18089 2/20 0.41
▸ ADRA2C P18825 2/20 0.41
▸ BCAT2 O15382 1/20 0.31
▸ HTR1A P08908 2/20 0.30
▸ HIF1A Q16665 2/20 0.30
▸ ADRB2 P07550 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ HTR7 P34969 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ADRA1B P35368 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ THPO P40225 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
SCHEMBL21556992 0.84 ADRA2A (0.43) ADRA2AADRA2BADRA2CBCAT2HTR1A
SCHEMBL13840704 0.82 ADRA2A (0.44) ADRA2AADRA2BADRA2CBCAT2HTR1A
SCHEMBL22826941 0.82 ADRA2A (0.41) ADRA2AADRA2BADRA2CBCAT2HTR1A
SCHEMBL19361305 0.82 ADRA2A (0.41) ADRA2AADRA2BADRA2CBCAT2HTR1A
SCHEMBL20852549 0.72 HIF1A (0.61) ADRA2AADRA2BADRA2CBCAT2HTR1A
SCHEMBL14769097 0.72 HIF1A (0.61) ADRA2AADRA2BADRA2CBCAT2HTR1A
SCHEMBL21556942 0.71 ADRB2 (0.42) HIF1AADRB2ADRB1ADRB3TSHR
SCHEMBL10445887 0.67 MAPT (0.60) ADRA2AADRA2BADRA2CHIF1AADRB2
SCHEMBL13840702 0.67 BCAT2 (0.40) ADRA2AADRA2BADRA2CBCAT2HIF1A
SCHEMBL19361198 0.67 BCAT2 (0.40) ADRA2AADRA2BADRA2CBCAT2HIF1A

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
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 — — EP disclosed
EP-2753605-B1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2019-03-27 — — EP disclosed
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