SCHEMBL273434

SCHEMBL273434

COc1cc(OC)cc(C(=O)Nc2ccc(C)cc2C(=O)N/N=C/c2cccc(C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 5/20 0.53
PKM P14618 3/20 0.53
KDM4E B2RXH2 6/20 0.52
MAPT P10636 6/20 0.52
HPGD P15428 6/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 4/20 0.52
ALOX12 P18054 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 2/20 0.49
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SPHK2 Q9NRA0 2/20 0.48
SPHK1 Q9NYA1 2/20 0.48
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47

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
SCHEMBL268976 0.92 RAB9A (0.58) NPC1RAB9APKMKDM4EMAPT
SCHEMBL268977 0.92 RAB9A (0.58) NPC1RAB9APKMKDM4EMAPT
SCHEMBL266760 0.86 RAB9A (0.63) NPC1RAB9APKMKDM4EMAPT
SCHEMBL266759 0.86 RAB9A (0.63) NPC1RAB9APKMKDM4EMAPT
SCHEMBL265728 0.84 PKM (0.72) NPC1RAB9APKMKDM4EMAPT
SCHEMBL265729 0.84 PKM (0.72) NPC1RAB9APKMKDM4EMAPT
SCHEMBL269255 0.84 NPC1 (0.60) NPC1RAB9APKMKDM4EMAPT
SCHEMBL269254 0.84 NPC1 (0.60) NPC1RAB9APKMKDM4EMAPT
SCHEMBL267147 0.83 KDM4E (0.66) NPC1RAB9APKMKDM4EMAPT
SCHEMBL265290 0.83 KDM4E (0.66) NPC1RAB9APKMKDM4EMAPT

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-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed