SCHEMBL4590126

SCHEMBL4590126

NC(=O)OCCc1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
PNMT P11086 1/20 0.48
IDO1 P14902 2/20 0.47
LMNA P02545 1/20 0.44
ADA P00813 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
TSHR P16473 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPRC P08575 1/20 0.38
PTPRG P23470 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.37

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
SCHEMBL47779 0.86 TAAR1 (0.52) TAAR1PNMTIDO1SMN1; SMN2NPSR1
SCHEMBL1821613 0.86 TAAR1 (0.50) TAAR1PNMTIDO1LMNASMN1; SMN2
SCHEMBL722953 0.83 IDO1 (0.59) TAAR1PNMTIDO1LMNASMN1; SMN2
SCHEMBL28350567 0.78 LMNA (0.38) IDO1LMNASMN1; SMN2TSHRMEN1
SCHEMBL5067382 0.76 TAAR1 (0.56) TAAR1PNMTIDO1ADASMN1; SMN2
SCHEMBL3897629 0.75 KMT2A (0.49) TAAR1PNMTIDO1LMNASMN1; SMN2
SCHEMBL28339916 0.75 LMNA (0.43) LMNASMN1; SMN2MEN1KMT2APDCD1LG2
SCHEMBL29760897 0.74 PNMT (0.59) TAAR1PNMTIDO1LMNASMN1; SMN2
SCHEMBL3393837 0.74 PNMT (0.59) TAAR1PNMTIDO1LMNASMN1; SMN2
SCHEMBL3591795 0.74 TAAR1 (0.46) TAAR1PNMTIDO1SMN1; SMN2NPSR1

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-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 WO disclosed