SCHEMBL28835178

SCHEMBL28835178

CSc1nc(Cl)c(Cl)c(C(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
PPARG P37231 2/20 0.36
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIA1 P42261 1/20 0.30

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
SCHEMBL6169849 0.83 MEN1 (0.53) KMT2AMEN1TDP1SMN1; SMN2HCAR2
SCHEMBL282501 0.78 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2PPARGALDH1A1
SCHEMBL4675972 0.77 MEN1 (0.50) KMT2AMEN1TDP1SMN1; SMN2HCAR2
SCHEMBL22574603 0.76 KMT2A (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL28196712 0.73 TDP1 (0.57) KMT2AMEN1TDP1SMN1; SMN2HCAR2
SCHEMBL21640952 0.72 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2PPARGALDH1A1
SCHEMBL6169768 0.71 MEN1 (0.47) KMT2AMEN1SMN1; SMN2HCAR2PPARG
SCHEMBL29520195 0.70 KMT2A (1.00) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL1533879 0.70 KMT2A (1.00) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL3257142 0.70 TDP1 (0.65) KMT2AMEN1TDP1SMN1; SMN2HCAR2

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
CN-102066554-B Cell adhesion promoters and the method promoting cell adhesion 国立大学法人京都大学 2016-11-16 CN disclosed