SCHEMBL4728028

SCHEMBL4728028

Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.82
KDM4E B2RXH2 9/20 0.82
MAPK1 P28482 1/20 0.82
NPSR1 Q6W5P4 1/20 0.82
HPGD P15428 5/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
LMNA P02545 4/20 0.78
RAB9A P51151 3/20 0.78
GAA P10253 1/20 0.76
KMT2A Q03164 2/20 0.72
HDAC6 Q9UBN7 1/20 0.64
TP53 P04637 1/20 0.62
ALDH1A1 P00352 5/20 0.60
NPC1 O15118 1/20 0.60
GFER P55789 1/20 0.60
MEN1 O00255 1/20 0.55
POLB P06746 2/20 0.54
HSD17B10 Q99714 1/20 0.52
USP2 O75604 1/20 0.52
CA12 O43570 1/20 0.51

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
SCHEMBL19322155 0.90 KDM4E (1.00) MAPTKDM4EMAPK1NPSR1HPGD
SCHEMBL10753524 0.83 HDAC6 (0.73) MAPTKDM4EMAPK1NPSR1HPGD
SCHEMBL4728174 0.83 KDM4E (0.75) MAPTKDM4EMAPK1NPSR1HPGD
SCHEMBL6388717 0.82 RAB9A (0.71) MAPTKDM4EMAPK1HPGDSMN1; SMN2
SCHEMBL13325896 0.81 ALDH1A3 (0.71) KDM4EMAPK1HPGDSMN1; SMN2RAB9A
Zolimidine SCHEMBL932657 0.79 HDAC6 (1.00) MAPTKDM4EMAPK1NPSR1HPGD
Zolimidine SCHEMBL29405502 0.77 HDAC6 (0.97) MAPTKDM4EMAPK1NPSR1HPGD
SCHEMBL4726872 0.76 MAPT (0.72) MAPTKDM4EMAPK1NPSR1HPGD
SCHEMBL19322170 0.76 KDM4E (0.63) MAPTKDM4EMAPK1NPSR1HPGD
SCHEMBL10754655 0.76 HDAC6 (0.74) MAPTKDM4EMAPK1NPSR1HPGD

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-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed