SCHEMBL7912706

SCHEMBL7912706

COc1cccc(C(CC(N)CO)(c2ccccc2)c2ccccc2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AGTR1 P30556 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
NFE2L2 Q16236 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7912698 0.87 KIF11 (0.45) KIF11AGTR1LMNACYP1A2SMN1; SMN2
SCHEMBL5133757 0.82 NFE2L2 (0.40) NPC1RAB9ALMNANFE2L2SMN1; SMN2
SCHEMBL1263157 0.81 KIF11 (0.41) KIF11NPC1RAB9AAGTR1LMNA
SCHEMBL6855010 0.80 L3MBTL1 (0.39) KIF11NPC1RAB9ALMNANFE2L2
SCHEMBL15517408 0.77 AGTR1 (0.38) KIF11NPC1RAB9AAGTR1LMNA
SCHEMBL27938323 0.76 SMN1; SMN2 (0.40) KIF11NPC1RAB9ALMNACYP1A2
SCHEMBL7646522 0.76 NR3C2 (0.38) NPC1RAB9ALMNANFE2L2SMN1; SMN2
SCHEMBL7541639 0.76 KIF11 (0.40) KIF11NPC1RAB9ANFE2L2SMN1; SMN2
SCHEMBL2686112 0.75 KIF11 (0.64) KIF11LMNASMN1; SMN2HTTKCNH2
SCHEMBL15212175 0.75 NFE2L2 (0.39) KIF11NPC1RAB9ANFE2L2SMN1; SMN2

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
US-6187913-B1 Covalently crosslinked oligonucleotides, preparation method and synthon which is of use in the method GENSET (FR) 2001-02-13 US disclosed