SCHEMBL3716191

SCHEMBL3716191

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 2/20 0.48
AHR P35869 1/20 0.48
UTRN P46939 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3717358 0.86 KMT2A (0.53) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL4363580 0.76 UTRN (0.58) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL4363584 0.76 UTRN (0.58) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL3717356 0.73 CYP1A2 (0.50) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL3812296 0.72 CYP1A2 (0.51) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL3812306 0.72 CYP1A2 (0.51) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL3812302 0.72 CYP1A2 (0.51) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL2243039 0.71 UTRN (0.77) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL2245790 0.69 UTRN (0.77) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL12324816 0.69 MAPT (0.65) KMT2AMEN1ALDH1A1POLBKDM4E

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 3 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 claimed
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