SCHEMBL1384829

SCHEMBL1384829

N[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
FKBP1A P62942 2/20 0.48
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
ITGB1 P05556 2/20 0.47
ITGA5 P08648 2/20 0.47
DPP3 Q9NY33 2/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1383977 1.00 KMT2A (0.50) KMT2APKMMEN1ALDH1A1LMNA
SCHEMBL1385938 0.90 F2 (0.51) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL1380411 0.90 F2 (0.51) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL629768 0.89 ITGB2 (0.52) KMT2APKMMEN1ALDH1A1LMNA
SCHEMBL631002 0.89 ITGB2 (0.52) KMT2APKMMEN1ALDH1A1LMNA
SCHEMBL13206955 0.89 ITGB2 (0.52) KMT2APKMMEN1ALDH1A1LMNA
SCHEMBL631775 0.86 LMNA (0.47) KMT2APKMMEN1ALDH1A1LMNA
SCHEMBL630426 0.85 TDP1 (0.48) KMT2APKMMEN1ALDH1A1LMNA
SCHEMBL1380574 0.85 FKBP1A (0.57) KMT2AMEN1LMNAFKBP1AITGB2
SCHEMBL630229 0.85 MMP9 (0.54) KMT2APKMMEN1ALDH1A1LMNA

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
JP-4812758-B2 2011-11-09 JP claimed