SCHEMBL3643733

SCHEMBL3643733

CCS(=O)(=O)c1cccc2nc(-c3ccc4ccccc4c3)oc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 10/20 0.60
CYP1A2 P05177 2/20 0.60
AHR P35869 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
DHODH Q02127 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL3643735 0.80 UTRN (0.60) UTRNCYP1A2AHRHDAC6SMN1; SMN2
SCHEMBL30423260 0.80 UTRN (0.60) UTRNCYP1A2AHRHDAC6SMN1; SMN2
Ezutromid SCHEMBL732212 0.75 UTRN (1.00) UTRNCYP1A2AHRHDAC6SMN1; SMN2
Ezutromid SCHEMBL31080435 0.75 UTRN (1.00) UTRNCYP1A2AHRHDAC6SMN1; SMN2
Ezutromid SCHEMBL30791155 0.75 UTRN (1.00) UTRNCYP1A2AHRHDAC6SMN1; SMN2
Ezutromid SCHEMBL29376738 0.75 UTRN (1.00) UTRNCYP1A2AHRHDAC6SMN1; SMN2
SCHEMBL15899687 0.70 ELANE (0.52) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL31329230 0.70 ELANE (0.71) SMN1; SMN2TP53MAPTKMT2AMEN1
SCHEMBL1532720 0.70 ELANE (0.71) SMN1; SMN2TP53MAPTKMT2AMEN1
SCHEMBL1913541 0.69 NPC1 (0.62) UTRNCYP1A2AHRHDAC6SMN1; SMN2

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
EP-2176246-A2 POLYMORPHS OF A COMPOUND FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-04-21 EP claimed
WO-2009021748-A2 POLYMORPHS OF A COMPOUND FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO claimed