SCHEMBL4001127

SCHEMBL4001127

O=C(NC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1)c1cccc(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAN2A1 Q16706 14/20 0.71
MAN1B1 Q9UKM7 14/20 0.71
MAN2B1 O00754 3/20 0.63
GLA P06280 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4001130 1.00 MAN2A1 (0.71) MAN2A1MAN1B1MAN2B1GLANPC1
SCHEMBL2433156 0.74 MAN1B1 (0.57) MAN2A1MAN1B1MAN2B1GLA
SCHEMBL27604321 0.70 NPC1 (0.58) NPC1RAB9AMEN1KMT2A
SCHEMBL3994042 0.70 MAN1B1 (0.76) MAN2A1MAN1B1MAN2B1
SCHEMBL8305696 0.66 ALDH1A1 (0.66) NPC1RAB9A
SCHEMBL8305694 0.66 ALDH1A1 (0.66) NPC1RAB9A
SCHEMBL31055430 0.65 KMT2A (0.78) NPC1RAB9AMEN1KMT2A
SCHEMBL31055417 0.65 L3MBTL1 (0.62) NPC1RAB9AMEN1KMT2A
SCHEMBL29032735 0.64 MEN1 (0.86) NPC1RAB9AMEN1KMT2A
SCHEMBL30450738 0.64 MEN1 (0.86) NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2067771-A1 Derivatives of Dihydroxypyrrolidine as Anti-Cancer Compounds EPFL Ecole Polytechnique Fédérale de Lausanne (CH) 2009-06-10 EP disclosed