SCHEMBL8540384

SCHEMBL8540384

COc1ccc([C](c2cccs2)c2cccs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
MAPT P10636 4/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
PKM P14618 1/20 0.56
CDK5 Q00535 1/20 0.56
CDK5R1 Q15078 1/20 0.56
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.50
PPARG P37231 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NR2E3 Q9Y5X4 1/20 0.50

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
SCHEMBL3157724 0.82 HPGD (0.69) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL15988676 0.77 MAPT (0.78) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL15227842 0.77 L3MBTL1 (0.68) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL6419828 0.76 L3MBTL1 (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL10399371 0.76 L3MBTL1 (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL6419827 0.76 L3MBTL1 (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL10399401 0.76 L3MBTL1 (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL10399370 0.76 L3MBTL1 (0.52) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL17208812 0.75 HPGDS (0.66) L3MBTL1MAPTNPC1RAB9APKM
SCHEMBL16968370 0.75 ALDH1A1 (0.49) L3MBTL1MAPTNPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827501-A INERT TRIARYLMETHYL FREE RADICAL CONTRAST AGENTS FOR ELECTRON SPIN RESONANCE (ESR) ENHANCED MAGNETIC RESONANCE (EMR) IMAGING NYCOMED IMAGING AS (NO) 1998-10-27 US disclosed
US-5599522-A CONTRAST ENHANCING AGENTS NYCOMED IMAGING AS (NO) 1997-02-04 US disclosed
EP-0515458-B1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI NYCOMED INNOVATION AB (SE) 1995-08-23 EP disclosed
EP-0515458-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI. HAFSLUND NYCOMED INNOVATION (SE) 1992-12-02 EP disclosed
WO-1991012024-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI HAFSLUND NYCOMED INNOVATION AB (SE) 1991-08-22 WO disclosed