SCHEMBL8537439

SCHEMBL8537439

COc1ccc(C(O)(c2cccs2)c2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
AHR P35869 2/20 0.47
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL3165430 0.80 SMN1; SMN2 (0.46) SMN1; SMN2POLBGAANPC1RAB9A
SCHEMBL6436858 0.79 MEN1 (0.47) SMN1; SMN2POLBGAAL3MBTL1KMT2A
SCHEMBL11756095 0.79 ICMT (0.56) SMN1; SMN2POLBGAANPC1RAB9A
SCHEMBL1274370 0.78 SMN1; SMN2 (0.44) SMN1; SMN2POLBGAANPC1RAB9A
SCHEMBL2390466 0.77 RGS12 (0.43) SMN1; SMN2POLBGAAMAPTKMT2A
SCHEMBL812742 0.77 CA1 (0.58) AHRMAPTLMNAALDH1A1AOC3
SCHEMBL13939396 0.76 ALDH1A1 (0.44) SMN1; SMN2POLBGAATP53L3MBTL1
SCHEMBL28797 0.74 CA4 (0.54) SMN1; SMN2AHRKMT2ALMNA
SCHEMBL29205 0.74 CA4 (0.54) SMN1; SMN2AHRKMT2ALMNA
SCHEMBL2390819 0.74 RGS12 (0.43) SMN1; SMN2POLBGAAMAPTKMT2A

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