SCHEMBL7212293

SCHEMBL7212293

O=C(Nc1cc(F)c(C2=CC(Cc3ccccc3)NCC2)c(F)c1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.43
POLB P06746 1/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RCOR1 Q9UKL0 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
SCHEMBL7466114 0.76 SLC22A1 (0.36) POLBKDM1A
SCHEMBL7028452 0.74 NPC1 (0.47) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL5234339 0.73 MGLL (0.46) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL8503966 0.72 POLB (0.67) MGLLPOLB
SCHEMBL7078296 0.72 BTK (0.45) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL5834261 0.71 NAMPT (0.48) MGLLPOLBMAOBALDH1A1MAPT
SCHEMBL18786518 0.71 MGLL (0.58) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL7002216 0.70 MGLL (0.42) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL6608578 0.70 MGLL (0.54) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL8503162 0.70 POLB (0.56) MGLLPOLBALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003515539-A 2003-05-07 JP claimed
EP-1237895-A2 PHOSPHORYLATION OF TERMINAL PRIMARY ALCOHOL GROUPS AstraZeneca AB (SE) 2002-09-11 EP claimed
WO-2001040236-A2 PHOSPHORYLATION OF TERMINAL PRIMARY ALCOHOL GROUPS ASTRAZENECA AB (SE) 2001-06-07 WO claimed
EP-1237895-A2 PHOSPHORYLATION OF TERMINAL PRIMARY ALCOHOL GROUPS AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2001040236-A2 PHOSPHORYLATION OF TERMINAL PRIMARY ALCOHOL GROUPS ASTRAZENECA AB (SE) 2001-06-07 WO disclosed