SCHEMBL5553015

SCHEMBL5553015

NCC(CO)c1ccc(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 0.60
▸ KDM4E B2RXH2 9/20 0.60
▸ RECQL P46063 8/20 0.60
▸ MAPT P10636 7/20 0.60
▸ BLM P54132 5/20 0.60
▸ LMNA P02545 4/20 0.60
▸ MAPK1 P28482 4/20 0.60
▸ APEX1 P27695 3/20 0.60
▸ ADRB2 P07550 3/20 0.60
▸ ADRB1 P08588 3/20 0.60
▸ ADRA2A P08913 3/20 0.60
▸ ADRA2B P18089 3/20 0.60
▸ ADRA2C P18825 3/20 0.60
▸ ADRA1D P25100 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ ADORA3 P0DMS8 2/20 0.60
▸ ADRB3 P13945 2/20 0.60
▸ DRD2 P14416 2/20 0.60

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
SCHEMBL10739744 0.85 TDP1 (0.56) TDP1KDM4ERECQLMAPTBLM
SCHEMBL30918751 0.82 TDP1 (0.58) TDP1KDM4ERECQLMAPTBLM
SCHEMBL11646585 0.82 TDP1 (0.58) TDP1KDM4ERECQLMAPTBLM
SCHEMBL29196542 0.82 TDP1 (0.58) TDP1KDM4ERECQLMAPTBLM
SCHEMBL30918749 0.79 TDP1 (0.55) TDP1KDM4ERECQLMAPTBLM
SCHEMBL29196541 0.79 TDP1 (0.55) TDP1KDM4ERECQLMAPTBLM
SCHEMBL1520190 0.78 GAA (0.67) TDP1KDM4ERECQLMAPTBLM
SCHEMBL11142937 0.77 TAAR1 (0.56) TDP1KDM4EMAPTBLMLMNA
SCHEMBL30918748 0.77 TDP1 (0.51) TDP1KDM4ERECQLMAPTBLM
SCHEMBL29196545 0.77 TDP1 (0.51) TDP1KDM4ERECQLMAPTBLM

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-1835287-A2 Method and test kits for determining neuroendocrinal diseases Bieger, Wilfried P. (DE) 2007-09-19 — — EP disclosed
EP-0167204-B1 METHOD FOR IMPROVING THE ABSORPTION AND EFFECTIVENESS OF A CATECHOLAMINE COMPOUND SIMES S.p.A. Società Italiana Medicinali e Sintetici (IT) 1989-09-27 — — EP disclosed
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