SCHEMBL5551024

SCHEMBL5551024

COC(=O)c1cc2ccc(OC)cc2c2c1C=CC(c1ccccc1)(c1ccc(N3CCOCC3)cc1)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
HCRTR1 O43613 1/20 0.42
MAPT P10636 6/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL5549293 0.93 MAPT (0.39) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL1845404 0.93 KMT2A (0.43) KMT2AMEN1HCRTR1MAPTKDM4E
SCHEMBL5550214 0.92 KMT2A (0.47) KMT2AMEN1HCRTR1MAPTKDM4E
SCHEMBL5550993 0.91 MAPT (0.38) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL5650444 0.89 MAPT (0.38) KMT2AMEN1HCRTR1MAPTKDM4E
SCHEMBL7479868 0.87 MEN1 (0.40) KMT2AMEN1HCRTR1MAPTKDM4E
SCHEMBL7784131 0.87 MAPT (0.39) KMT2AMEN1HCRTR1MAPTKDM4E
SCHEMBL7938728 0.86 SLC16A3 (0.42) KMT2AMEN1HCRTR1MAPTKDM4E
SCHEMBL1845080 0.85 KEAP1 (0.38) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL1848196 0.85 PLA2G2A (0.41) KMT2AMEN1MAPTKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975619-B1 INTENSE COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b] PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LTD (GB) 2007-01-03 EP disclosed
EP-0975619-B1 INTENSE COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b] PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LTD (GB) 2007-01-03 EP disclosed
EP-0975619-A1 INTENSE COLOURING PHOTOCHROMIC 2$i(H)-NAPHTHO 1,2-$i(b)]PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LIMITED (GB) 2000-02-02 EP disclosed
WO-1998042695-A1 INTENSE COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b]PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LIMITED (GB) 1998-10-01 WO disclosed