SCHEMBL3945489

SCHEMBL3945489

OCCSc1ccc2oc(-c3ccc4ccccc4c3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTRN P46939 9/20 0.53
CYP1A2 P05177 1/20 0.53
AHR P35869 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ESR1 P03372 2/20 0.51
ESR2 Q92731 1/20 0.51
MAPT P10636 9/20 0.47
THRB P10828 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 5/20 0.45

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
SCHEMBL3947228 0.85 UTRN (0.61) UTRNCYP1A2AHRHDAC6ESR1
SCHEMBL3949434 0.80 MAPT (0.58) UTRNCYP1A2AHRHDAC6ESR1
SCHEMBL38658329 0.77 ANPEP (0.51) CYP1A2HDAC6MAPTTHRBSMN1; SMN2
SCHEMBL3894693 0.77 ANPEP (0.51) CYP1A2HDAC6MAPTTHRBSMN1; SMN2
SCHEMBL3952629 0.76 ESR1 (0.85) UTRNCYP1A2AHRHDAC6ESR1
SCHEMBL4227947 0.75 UTRN (0.53) UTRNCYP1A2AHRHDAC6ESR1
SCHEMBL3947253 0.74 UTRN (0.77) UTRNCYP1A2AHRHDAC6ESR1
SCHEMBL30727501 0.74 NPC1 (0.62) UTRNCYP1A2AHRHDAC6ESR1
SCHEMBL1913541 0.74 NPC1 (0.62) UTRNCYP1A2AHRHDAC6ESR1
SCHEMBL24881921 0.73 SMN1; SMN2 (0.72) UTRNCYP1A2AHRHDAC6ESR1

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-2009021750-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO disclosed