SCHEMBL7949473

SCHEMBL7949473

CC1C=CC(c2csc(NC(=O)/C=C/c3ccco3)c2C(=O)O)=CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 14/20 0.64
▸ RAB9A P51151 13/20 0.64
▸ MEN1 O00255 13/20 0.64
▸ NPC1 O15118 12/20 0.64
▸ L3MBTL1 Q9Y468 8/20 0.64
▸ TDP1 Q9NUW8 7/20 0.64
▸ RECQL P46063 4/20 0.64
▸ SMN1; SMN2 Q16637 14/20 0.62
▸ MAPT P10636 10/20 0.62
▸ POLB P06746 10/20 0.62
▸ KDM4E B2RXH2 8/20 0.62
▸ ALDH1A1 P00352 7/20 0.62
▸ PKM P14618 4/20 0.62
▸ BLM P54132 3/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.51
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 6/20 0.45
▸ SLC12A2 P55011 1/20 0.45
▸ SLC12A5 Q9H2X9 1/20 0.45
▸ EIF4H Q15056 1/20 0.44

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
SCHEMBL1892079 0.77 KMT2A (1.00) KMT2ARAB9AMEN1NPC1L3MBTL1
SCHEMBL1892078 0.77 KMT2A (1.00) KMT2ARAB9AMEN1NPC1L3MBTL1
SCHEMBL1893062 0.75 KMT2A (0.84) KMT2ARAB9AMEN1NPC1L3MBTL1
SCHEMBL1893060 0.75 KMT2A (0.84) KMT2ARAB9AMEN1NPC1L3MBTL1
SCHEMBL12271549 0.75 KMT2A (0.84) KMT2ARAB9AMEN1NPC1L3MBTL1
SCHEMBL12756720 0.64 MEN1 (0.68) KMT2ARAB9AMEN1NPC1L3MBTL1
SCHEMBL12319232 0.63 KMT2A (1.00) KMT2ARAB9AMEN1NPC1L3MBTL1
SCHEMBL31530568 0.62 RAB9A (0.77) KMT2ARAB9AMEN1NPC1L3MBTL1
SCHEMBL31530581 0.62 RAB9A (0.77) KMT2ARAB9AMEN1NPC1L3MBTL1
SCHEMBL8290592 0.62 KMT2A (0.76) KMT2ARAB9AMEN1NPC1L3MBTL1

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-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 — — WO disclosed
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