SCHEMBL17188766

SCHEMBL17188766

COc1ccc(OC)c(-c2csc(NCC(=O)N3CCCC3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 0.57
▸ MEN1 O00255 10/20 0.57
▸ MAPT P10636 9/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ NPC1 O15118 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ LMNA P02545 4/20 0.53
▸ PTGS2 P35354 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51
▸ THRB P10828 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL17188723 0.82 GAA (0.49) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL18346800 0.75 GAA (0.59) KMT2AMEN1MAPTSMN1; SMN2PTGS2
SCHEMBL11137198 0.74 KMT2A (0.70) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL12297590 0.74 TLR9 (0.52) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL17188722 0.73 CCNT1 (0.51) KMT2AMEN1NPC1
SCHEMBL12297981 0.72 MAPT (0.69) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL3179153 0.72 KMT2A (0.52) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL12297565 0.72 KMT2A (0.66) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7988045 0.72 RAB9A (0.62) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL17188733 0.71 GAA (0.40) MAPTSMN1; SMN2NPC1MAPK1LMNA

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
EP-2265606-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 — — EP disclosed
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