SCHEMBL7473791

SCHEMBL7473791

COC(=O)c1cc2ccc(N(C)C)cc2c2c1C=CC(c1ccccc1)(c1ccc(N3CCCC3)cc1)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
AVPR2 P30518 1/20 0.33
HTR6 P50406 1/20 0.33
MAPT P10636 6/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LRP6 O75581 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
AKT1 P31749 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 1/20 0.32
AR P10275 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31

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 0.99 LRP6 (0.33) NPC1AVPR2HTR6MAPTSMN1; SMN2
SCHEMBL7483443 0.96 LRP6 (0.34) NPC1AVPR2MAPTSMN1; SMN2LRP6
SCHEMBL5650444 0.94 MAPT (0.38) NPC1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL5645606 0.92 MAPT (0.35) MAPTSMN1; SMN2CYP2C9CYP2C19LRP6
SCHEMBL13868624 0.90 KDM4E (0.35) NPC1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14823294 0.89 TP53 (0.35) NPC1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7777302 0.88 DHODH (0.37) NPC1HTR6MAPTSMN1; SMN2CYP1A2
SCHEMBL13693075 0.88 MAPT (0.37) NPC1MAPTSMN1; SMN2CYP2C19MEN1
SCHEMBL5549293 0.88 MAPT (0.39) NPC1MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL7488070 0.86 ALDH1A1 (0.33) NPC1MAPTSMN1; SMN2CYP3A4MEN1

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