SCHEMBL268762

SCHEMBL268762

O=C(Nc1ccccc1C(=O)NN=Cc1cccc(F)c1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
NPC1 O15118 11/20 0.54
RAB9A P51151 10/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
PKM P14618 6/20 0.54
FAAH O00519 1/20 0.53
GAA P10253 4/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
AMY1A P0DUB6 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
NFKB1 P19838 1/20 0.51

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
SCHEMBL273713 1.00 MAPT (0.54) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL266482 0.90 NPC1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL273711 0.90 NPC1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL273860 0.89 MAPT (0.69) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL268023 0.89 MAPT (0.69) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL273686 0.89 MEN1 (0.51) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL268120 0.89 MEN1 (0.51) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL266457 0.86 PKM (0.71) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL266458 0.86 PKM (0.71) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL265811 0.85 KLF5 (0.61) MAPTALDH1A1NPC1RAB9AMEN1

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