SCHEMBL4778088

SCHEMBL4778088

C=CCn1c(SC(C=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HDAC2 Q92769 5/20 0.44
▸ HDAC1 Q13547 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HDAC8 Q9BY41 4/20 0.42
▸ PTK2 Q05397 4/20 0.42
▸ HDAC3 O15379 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 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
SCHEMBL4778083 0.77 ALDH1A1 (0.65) GAAUSP2ALOX15HSD17B10HDAC2
SCHEMBL13832017 0.65 PTK2 (0.58) HTTGAAHDAC2HDAC1LMNA
SCHEMBL14289658 0.64 ALDH1A1 (0.70) HTTGAAUSP2ALOX15HSD17B10
SCHEMBL13831830 0.64 PTK2 (0.83) GAALMNAMAPK1SMN1; SMN2KMT2A
SCHEMBL13832014 0.61 ALDH1A1 (0.48) HTTGAAHDAC2HDAC1LMNA
SCHEMBL25336347 0.61 SMN1; SMN2 (1.00) HDAC2HDAC1LMNAMAPK1SMN1; SMN2
SCHEMBL4217012 0.61 POLB (0.67) HTTGAAHDAC2HDAC1LMNA
SCHEMBL15986468 0.60 PTK2 (0.78) HTTHSD17B10HDAC2LMNAMAPK1
SCHEMBL20813034 0.60 MAPT (0.56) HTTGAAUSP2HSD17B10LMNA
SCHEMBL13832217 0.60 MAPT (0.56) HTTGAAUSP2HSD17B10LMNA

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-2008009935-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USE UCL BUSINESS PLC (GB) 2008-01-24 — — WO claimed
Send feedback