SCHEMBL3722175

SCHEMBL3722175

Brc1ccc2oc(-c3ccc4ccccc4c3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
UTRN P46939 9/20 0.59
HDAC6 Q9UBN7 3/20 0.59
CYP1A2 P05177 1/20 0.59
AHR P35869 1/20 0.59
ESR1 P03372 2/20 0.57
ESR2 Q92731 1/20 0.57
MAPT P10636 6/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
HSD17B10 Q99714 1/20 0.56
THRB P10828 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
PTPN2 P17706 1/20 0.49

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
SCHEMBL4052930 0.88 ESR1 (0.57) TP53SMN1; SMN2UTRNHDAC6CYP1A2
SCHEMBL19846155 0.86 KDM4E (0.57) TP53SMN1; SMN2ESR1ESR2MAPT
SCHEMBL25498923 0.84 SMN1; SMN2 (0.62) TP53SMN1; SMN2HDAC6CYP1A2ESR1
SCHEMBL29407356 0.84 SMN1; SMN2 (0.66) TP53SMN1; SMN2HDAC6CYP1A2ESR1
SCHEMBL9966868 0.84 SMN1; SMN2 (0.66) TP53SMN1; SMN2HDAC6CYP1A2ESR1
SCHEMBL10173054 0.84 HDAC6 (0.64) TP53SMN1; SMN2HDAC6ESR1ESR2
SCHEMBL15844590 0.83 UTRN (0.56) TP53SMN1; SMN2UTRNHDAC6CYP1A2
SCHEMBL2243139 0.82 RAB9A (0.72) TP53SMN1; SMN2ESR1ESR2MAPT
SCHEMBL30727501 0.82 NPC1 (0.62) TP53SMN1; SMN2UTRNHDAC6CYP1A2
SCHEMBL1913541 0.82 NPC1 (0.62) TP53SMN1; SMN2UTRNHDAC6CYP1A2

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-2010112093-A1 BENZOXAZOLES FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-10-07 WO disclosed