SCHEMBL265497

SCHEMBL265497

O=C(Nc1ccc(Cl)cc1C(=O)NN=Cc1ccc(F)cc1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.54
RAB9A P51151 11/20 0.54
PKM P14618 4/20 0.54
POLB P06746 3/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 5/20 0.52
SNCA P37840 1/20 0.52
GFER P55789 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GRM5 P41594 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ATM Q13315 1/20 0.49
GUSB P08236 1/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL273866 1.00 NPC1 (0.54) NPC1RAB9APKMPOLBMAPT
SCHEMBL266482 0.91 NPC1 (0.58) NPC1RAB9APKMPOLBMEN1
SCHEMBL273711 0.91 NPC1 (0.58) NPC1RAB9APKMPOLBMEN1
SCHEMBL273718 0.90 NPC1 (0.57) NPC1RAB9APKMPOLBMAPT
SCHEMBL268003 0.90 NPC1 (0.57) NPC1RAB9APKMPOLBMAPT
SCHEMBL273703 0.89 MAPT (0.59) NPC1RAB9APKMPOLBMAPT
SCHEMBL266718 0.89 MAPT (0.59) NPC1RAB9APKMPOLBMAPT
SCHEMBL273860 0.88 MAPT (0.69) NPC1RAB9APKMPOLBMAPT
SCHEMBL268023 0.88 MAPT (0.69) NPC1RAB9APKMPOLBMAPT
SCHEMBL273516 0.87 NPC1 (0.53) NPC1RAB9APKMPOLBMAPT

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