SCHEMBL269258

SCHEMBL269258

Cc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccccn2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.55
RAB9A P51151 15/20 0.55
PKM P14618 8/20 0.55
GAA P10253 5/20 0.55
POLB P06746 3/20 0.55
MAPT P10636 3/20 0.55
GFER P55789 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.52
OPRK1 P41145 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL273690 1.00 NPC1 (0.55) NPC1RAB9APKMGAAPOLB
SCHEMBL265842 0.90 NPC1 (0.53) NPC1RAB9APKMGAAPOLB
SCHEMBL273516 0.90 NPC1 (0.53) NPC1RAB9APKMGAAPOLB
SCHEMBL269535 0.89 MEN1 (0.51) NPC1RAB9APKMGAAPOLB
SCHEMBL274295 0.89 MEN1 (0.51) NPC1RAB9APKMGAAPOLB
SCHEMBL265191 0.86 PKM (0.71) NPC1RAB9APKMPOLBMAPT
SCHEMBL265192 0.86 PKM (0.71) NPC1RAB9APKMPOLBMAPT
Hydrochloric Acid SCHEMBL265638 0.85 PKM (0.69) NPC1RAB9APKMPOLBMAPT
Hydrochloric Acid SCHEMBL265639 0.85 PKM (0.69) NPC1RAB9APKMPOLBMAPT
SCHEMBL273860 0.84 MAPT (0.69) NPC1RAB9APKMGAAPOLB

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
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
EP-1614676-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-01-11 EP disclosed