SCHEMBL4363584

SCHEMBL4363584

CCS(=O)(=O)c1ccc2oc(C=Cc3ccccc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 3/20 0.58
CYP1A2 P05177 2/20 0.55
AHR P35869 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL4363580 1.00 UTRN (0.58) UTRNCYP1A2AHRHDAC6RAB9A
SCHEMBL3717358 0.79 KMT2A (0.53) UTRNCYP1A2AHRHDAC6RAB9A
SCHEMBL4053461 0.79 UTRN (0.56) UTRNHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL4053466 0.79 UTRN (0.56) UTRNHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL3812296 0.78 CYP1A2 (0.51) UTRNCYP1A2AHRHDAC6RAB9A
SCHEMBL3812306 0.78 CYP1A2 (0.51) UTRNCYP1A2AHRHDAC6RAB9A
SCHEMBL3812302 0.78 CYP1A2 (0.51) UTRNCYP1A2AHRHDAC6RAB9A
SCHEMBL28510184 0.78 SNCA (0.64) UTRNCYP1A2RAB9ANPC1SMN1; SMN2
SCHEMBL2243039 0.77 UTRN (0.77) UTRNCYP1A2AHRHDAC6RAB9A
SCHEMBL3717356 0.77 CYP1A2 (0.50) UTRNCYP1A2AHRHDAC6RAB9A

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