SCHEMBL6215019

SCHEMBL6215019

CC(=O)N1CCN(C(=O)CCN2C(=O)c3cccc(NC(=O)C4=CC(Cl)=CCC4=S)c3C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 9/20 0.41
ACHE P22303 1/20 0.39
HSD17B10 Q99714 4/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
UBE2N P61088 1/20 0.35
PKM P14618 1/20 0.35
RPS6KA2 Q15349 2/20 0.35

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
SCHEMBL6217886 0.90 ACHE (0.39) KMT2AALDH1A1ACHEHSD17B10GAA
SCHEMBL6246108 0.90 SMN1; SMN2 (0.51) KMT2AALDH1A1ACHEHSD17B10GAA
SCHEMBL6219804 0.88 HSD17B10 (0.45) KMT2AALDH1A1ACHEHSD17B10GAA
SCHEMBL6217771 0.87 ACHE (0.53) ALDH1A1ACHEKDM4ERPS6KA2
SCHEMBL6697366 0.87 SMN1; SMN2 (0.47) KMT2AALDH1A1ACHEHSD17B10GAA
SCHEMBL6667667 0.80 ACHE (0.46) ACHE
SCHEMBL5781219 0.80 ACHE (0.39) KMT2AALDH1A1ACHEGAAHPGD
SCHEMBL6217619 0.80 ACHE (0.42) KMT2AALDH1A1ACHEHSD17B10GAA
SCHEMBL6667214 0.79 KMT2A (0.43) KMT2AALDH1A1ACHEHSD17B10GAA
SCHEMBL6217132 0.79 ACHE (0.57) ACHERPS6KA2

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-1414817-B1 substituted isoindoles and the use thereof BAYER HEALTHCARE AG (DE) 2005-04-06 EP disclosed