SCHEMBL2575510

SCHEMBL2575510

CN1CCN(C(=O)CCc2nc3cc(O)ccc3o2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
RAB9A P51151 11/20 0.46
NPC1 O15118 10/20 0.46
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KMT2A Q03164 3/20 0.40
HRH4 Q9H3N8 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38

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
SCHEMBL9747673 0.78 ESR1 (0.47) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL30406600 0.76 POLB (0.44) POLBRAB9ANPC1PDE3BPDE3A
SCHEMBL14916815 0.76 POLB (0.44) POLBRAB9ANPC1PDE3BPDE3A
SCHEMBL14925500 0.73 GAA (0.51) RAB9ANPC1PDE3BPDE3AKMT2A
SCHEMBL21815183 0.70 KMT2A (0.68) RAB9ANPC1KMT2AMEN1
SCHEMBL3999941 0.70 ME2 (0.52) POLBNPC1KMT2AME2ME1
SCHEMBL23188417 0.69 GAA (0.59) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL21327663 0.69 ME2 (0.52) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL10964722 0.68 MEN1 (0.61) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL22077654 0.68 MAPT (0.47) RAB9ANPC1ALDH1A1

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-2555768-A2 IRE-1 INHIBITORS MannKind Corporation (US) 2013-02-13 EP disclosed
WO-2011127070-A2 IRE-1α INHIBITORS MANNKIND CORPORATION (US) 2011-10-13 WO disclosed