SCHEMBL1128948

SCHEMBL1128948

O=C(CC(=O)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
ALDH1A1 P00352 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
REN P00797 2/20 0.58
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
ALOX5 P09917 1/20 0.52
KDM4E B2RXH2 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL1128947 0.91 ALDH1A1 (0.56) NPC1RAB9AALDH1A1NPSR1MEN1
SCHEMBL2107224 0.88 ALDH1A1 (0.53) NPC1RAB9AALDH1A1NPSR1MEN1
SCHEMBL28824749 0.86 KMT2A (0.57) NPC1RAB9AALDH1A1NPSR1MEN1
SCHEMBL17732626 0.84 REN (0.71) NPC1RAB9AALDH1A1NPSR1REN
SCHEMBL5146531 0.84 LMNA (0.55) NPC1RAB9AALDH1A1NPSR1MEN1
SCHEMBL5146521 0.84 LMNA (0.55) NPC1RAB9AALDH1A1NPSR1MEN1
SCHEMBL29993293 0.84 LMNA (0.55) NPC1RAB9AALDH1A1NPSR1MEN1
SCHEMBL825414 0.83 LMNA (0.63) NPC1RAB9AALDH1A1NPSR1MEN1
SCHEMBL1898753 0.83 MEN1 (0.56) NPC1RAB9AALDH1A1NPSR1MEN1
SCHEMBL7129964 0.83 ALOX5 (0.66) NPC1RAB9AALDH1A1NPSR1KMT2A

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-1996602-B1 NOVEL LACTOSAMINE DERIVATIVES GLYCOM APS (DK) 2011-02-16 EP disclosed