SCHEMBL14069636

SCHEMBL14069636

C/C=C\C=C1/CNc2ccccc2S1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 8/20 0.37
▸ MAPT P10636 7/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ NOX1 Q9Y5S8 5/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ PTGS2 P35354 1/20 0.37

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
SCHEMBL14128490 0.73 GAA (0.39) GAAMAPTMEN1KMT2ANOX1
SCHEMBL18830891 0.68 JAK2 (0.36) GAAALOX15NPSR1HSD17B10
SCHEMBL10838548 0.67 HSD17B10 (0.58) GAAMAPTMEN1KMT2ANOX1
SCHEMBL4510651 0.66 GAA (0.52) GAAMAPTMEN1KMT2ANOX1
SCHEMBL8556056 0.66 GAA (0.46) GAAMAPTMEN1KMT2ANOX1
SCHEMBL10840315 0.65 MAOB (0.46) MAPTMEN1KMT2ACYP1A2BCHE
SCHEMBL21082440 0.62 GAA (0.35) GAAMAPTMEN1KMT2ANOX1
SCHEMBL8563069 0.61 MEN1 (0.43) GAAMAPTMEN1KMT2ANOX1
SCHEMBL8561569 0.61 MEN1 (0.47) GAAMAPTMEN1KMT2ANOX1
SCHEMBL11319550 0.59 NOX1 (0.58) GAAMAPTMEN1KMT2ANOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008108842-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-09-12 — — WO disclosed
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