SCHEMBL7483443

SCHEMBL7483443

COC(=O)c1cc2ccc(N(C)C)cc2c2c1C=CC(c1ccc(N3CCCCC3)cc1)(c1ccc(N3CCCCC3)cc1)O2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRP6 O75581 1/20 0.34
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 5/20 0.32
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
AHR P35869 1/20 0.31
GFER P55789 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
AVPR2 P30518 1/20 0.30
AKT1 P31749 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL891063 0.97 LRP6 (0.33) LRP6RAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL5645606 0.96 MAPT (0.35) LRP6RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7473791 0.96 NPC1 (0.33) LRP6RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL13693075 0.92 MAPT (0.37) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL5650444 0.90 MAPT (0.38) LRP6RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL7488070 0.88 ALDH1A1 (0.33) RAB9ASMN1; SMN2NPC1NPSR1KDM4E
SCHEMBL5550993 0.87 MAPT (0.38) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL14823294 0.87 TP53 (0.35) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL7479868 0.86 MEN1 (0.40) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL7777302 0.85 DHODH (0.37) RAB9ASMN1; SMN2NPC1NPSR1KDM4E

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
EP-1117656-B1 GREY COLOURING PHOTOCHROMIC FUSED PYRANS JAMES ROBINSON LTD (GB) 2002-05-29 EP disclosed
US-6387512-B1 FOR COLORING INKS, FUELS, PLASTICS OR GLASS JAMES ROBINSON LIMITED (GB) 2002-05-14 US disclosed