SCHEMBL8814501

SCHEMBL8814501

c1csc(-c2ccn(OB(On3ccc(-c4cccs4)n3)On3ccc(-c4cccs4)n3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
FYN P06241 5/20 0.44
KDM4E B2RXH2 6/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL8814512 0.87 L3MBTL1 (0.47) KMT2AL3MBTL1TDP1FYNKDM4E
SCHEMBL6184983 0.75 KMT2A (0.51) KMT2AL3MBTL1TDP1FYNKDM4E
SCHEMBL9385111 0.73 KMT2A (0.51) KMT2AL3MBTL1TDP1FYNKDM4E
SCHEMBL5648675 0.72 KMT2A (0.54) KMT2AL3MBTL1TDP1FYNKDM4E
SCHEMBL6226622 0.72 KMT2A (0.50) KMT2AL3MBTL1TDP1FYNKDM4E
SCHEMBL2051509 0.71 KMT2A (0.47) KMT2AL3MBTL1TDP1FYNKDM4E
SCHEMBL5647954 0.69 SMN1; SMN2 (0.46) KMT2AL3MBTL1TDP1FYNKDM4E
SCHEMBL2051549 0.69 KMT2A (0.44) KMT2AL3MBTL1TDP1FYNKDM4E
SCHEMBL2052951 0.68 KMT2A (0.47) KMT2AL3MBTL1TDP1FYNKDM4E
SCHEMBL5646701 0.68 KMT2A (0.49) KMT2AL3MBTL1TDP1FYNKDM4E

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-1997017379-A1 POLYMERIZATION CATALYSTS BOREALIS A/S (DK) 1997-05-15 WO disclosed