SCHEMBL268003

SCHEMBL268003

Cc1ccc(C=NNC(=O)c2cc(Cl)ccc2NC(=O)c2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.57
RAB9A P51151 13/20 0.57
PKM P14618 5/20 0.57
POLB P06746 3/20 0.57
GAA P10253 6/20 0.54
MAPT P10636 5/20 0.54
GFER P55789 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
GRM5 P41594 2/20 0.48
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
MAOA P21397 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
SCHEMBL273718 1.00 NPC1 (0.57) NPC1RAB9APKMPOLBGAA
SCHEMBL266553 0.91 NPC1 (0.53) NPC1RAB9APKMPOLBGAA
SCHEMBL273716 0.91 NPC1 (0.53) NPC1RAB9APKMPOLBGAA
SCHEMBL265842 0.91 NPC1 (0.53) NPC1RAB9APKMPOLBGAA
SCHEMBL273516 0.91 NPC1 (0.53) NPC1RAB9APKMPOLBGAA
SCHEMBL265497 0.90 NPC1 (0.54) NPC1RAB9APKMPOLBGAA
SCHEMBL273866 0.90 NPC1 (0.54) NPC1RAB9APKMPOLBGAA
SCHEMBL267031 0.89 NPC1 (0.55) NPC1RAB9APKMPOLBGAA
SCHEMBL273957 0.89 NPC1 (0.55) NPC1RAB9APKMPOLBGAA
Hydrochloric Acid SCHEMBL265826 0.88 NPC1 (0.54) NPC1RAB9APKMPOLBGAA

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