SCHEMBL266916

SCHEMBL266916

O=C(Nc1ccccc1C(=O)NN=Cc1ccc(Cl)c(C(F)(F)F)c1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.57
NPC1 O15118 14/20 0.52
RAB9A P51151 14/20 0.52
POLB P06746 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PKM P14618 7/20 0.50
GAA P10253 5/20 0.50
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
OPRK1 P41145 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL273863 1.00 GRM4 (0.57) GRM4NPC1RAB9APOLBMEN1
SCHEMBL273519 0.92 GRM4 (0.54) GRM4NPC1RAB9APOLBMEN1
SCHEMBL267332 0.92 GRM4 (0.54) GRM4NPC1RAB9APOLBMEN1
SCHEMBL273687 0.90 GRM4 (0.53) GRM4NPC1RAB9APOLBMEN1
SCHEMBL266825 0.90 GRM4 (0.53) GRM4NPC1RAB9APOLBMEN1
SCHEMBL267846 0.82 MAPT (0.67) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL273223 0.82 MAPT (0.67) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL265839 0.82 MAPT (0.57) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL273618 0.82 MAPT (0.57) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL265840 0.82 MAPT (0.57) NPC1RAB9APOLBMEN1KMT2A

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