SCHEMBL4306451

SCHEMBL4306451

CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ LMNA P02545 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ MAPT P10636 3/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ HPGD P15428 1/20 0.51
▸ KMT2A Q03164 6/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL12827106 0.73 KMT2A (0.68) ALDH1A1LMNANPSR1MAPTHPGD
SCHEMBL1918788 0.66 KDM4E (0.64) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL11394109 0.65 PRMT5 (0.46) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL16557465 0.64 ALDH1A1 (0.76) ALDH1A1NPSR1MAPTNPC1RAB9A
SCHEMBL806658 0.64 KMT2A (0.67) ALDH1A1LMNANPSR1MAPTNPC1
SCHEMBL12827268 0.64 ALDH1A1 (0.71) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL14947473 0.63 ADRA1D (0.59) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL24169559 0.63 POLB (0.63) ALDH1A1LMNANPSR1MAPTKMT2A
SCHEMBL30950617 0.62 NPSR1 (0.80) ALDH1A1LMNANPSR1MAPTHPGD
SCHEMBL30292443 0.61 POLB (0.48) MAPTKMT2ASMN1; SMN2MEN1HSD17B10

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
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 — — WO claimed
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 — — WO disclosed
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