SCHEMBL4752383

SCHEMBL4752383

CN(c1c(C(N)=O)cccc1C(=O)O)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
ALOX15 P16050 2/20 0.40
MYC P01106 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TSHR P16473 2/20 0.37
G6PD P11413 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL4210157 0.93 KMT2A (0.46) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5186948 0.92 KMT2A (0.47) KMT2AALOX15ALDH1A1KDM4EHPGD
Trifluoroacetic Acid SCHEMBL30005486 0.86 L3MBTL1 (0.40) KMT2AALOX15KEAP1NFE2L2L3MBTL1
SCHEMBL166441 0.81 KMT2A (0.61) KMT2AALOX15ALDH1A1KDM4EHSD17B10
SCHEMBL27540668 0.81 ALB (0.47) KMT2AALOX15ALDH1A1HPGDL3MBTL1
SCHEMBL4209375 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL28002534 0.75 KMT2A (0.66) KMT2AALOX15ALDH1A1HSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL30006002 0.73 KMT2A (0.64) KMT2AALOX15ALDH1A1HSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL30004917 0.73 KMT2A (0.64) KMT2AALOX15ALDH1A1HSD17B10L3MBTL1
SCHEMBL30005605 0.73 KMT2A (0.68) KMT2AALOX15ALDH1A1HSD17B10L3MBTL1

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-2008135488-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-11-13 WO disclosed