SCHEMBL5728705

SCHEMBL5728705

CCCc1c(N)cccc1C(=O)Nc1cc(C)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 7/20 0.56
▸ GAA P10253 8/20 0.53
▸ HDAC1 Q13547 1/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NPC1 O15118 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ CASP3 P42574 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5728699 0.83 KCNMA1 (0.56) KCNMA1GAAHDAC1RAB9AHSD17B10
SCHEMBL14363390 0.73 KCNMA1 (0.66) KCNMA1GAARAB9AHSD17B10TSHR
SCHEMBL4928655 0.72 KCNMA1 (0.70) KCNMA1GAARAB9AHSD17B10TSHR
SCHEMBL4923998 0.71 KCNMA1 (0.60) KCNMA1GAARAB9AHSD17B10TSHR
SCHEMBL2605540 0.70 KCNMA1 (0.82) KCNMA1GAARAB9ATSHRNPC1
SCHEMBL24460251 0.70 LMNA (0.52) KCNMA1GAARAB9AHSD17B10TSHR
SCHEMBL5135888 0.70 MMP2 (0.52) GAARAB9AHSD17B10NPC1MAPT
SCHEMBL5685703 0.70 ALDH1A1 (0.42) GAAHSD17B10TSHRLMNAKMT2A
SCHEMBL27778033 0.70 PLK1 (0.46) GAARAB9AHSD17B10TSHRNPC1
SCHEMBL1964014 0.70 RAB9A (0.71) KCNMA1RAB9AHSD17B10TSHRLMNA

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-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 — — EP claimed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 — — WO claimed
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