SCHEMBL3812296

SCHEMBL3812296

CCS(=O)(=O)c1ccc2oc(/C(C)=C/c3ccccc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
AHR P35869 1/20 0.51
UTRN P46939 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
POLB P06746 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 5/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL3812306 1.00 CYP1A2 (0.51) CYP1A2AHRUTRNHDAC6KMT2A
SCHEMBL3812302 1.00 CYP1A2 (0.51) CYP1A2AHRUTRNHDAC6KMT2A
SCHEMBL3717356 0.87 CYP1A2 (0.50) CYP1A2AHRUTRNHDAC6KMT2A
SCHEMBL4363584 0.78 UTRN (0.58) CYP1A2AHRUTRNHDAC6KMT2A
SCHEMBL4363580 0.78 UTRN (0.58) CYP1A2AHRUTRNHDAC6KMT2A
SCHEMBL3716012 0.78 CYP1A2 (0.52) CYP1A2AHRUTRNHDAC6KMT2A
SCHEMBL3717358 0.75 KMT2A (0.53) CYP1A2AHRUTRNHDAC6KMT2A
SCHEMBL2243039 0.74 UTRN (0.77) CYP1A2AHRUTRNHDAC6KMT2A
SCHEMBL3716191 0.72 KMT2A (0.49) CYP1A2AHRUTRNHDAC6KMT2A
SCHEMBL2245790 0.72 UTRN (0.77) CYP1A2AHRUTRNHDAC6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010112092-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULARY DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-10-07 WO disclosed
WO-2010112092-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULARY DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-10-07 WO disclosed