SCHEMBL13668407

SCHEMBL13668407

CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2S)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 15/20 0.53
MEN1 O00255 14/20 0.53
ALDH1A1 P00352 9/20 0.53
MAPT P10636 8/20 0.53
TDP1 Q9NUW8 3/20 0.53
HPGD P15428 3/20 0.53
MAPK1 P28482 3/20 0.52
L3MBTL1 Q9Y468 4/20 0.50
CYBB P04839 1/20 0.50
NOX4 Q9NPH5 1/20 0.50
NPSR1 Q6W5P4 3/20 0.48
KDM4E B2RXH2 2/20 0.48
PSMD14 O00487 1/20 0.48
MMP2 P08253 1/20 0.48
SLC11A2 P49281 1/20 0.48
MMP14 P50281 1/20 0.48
LMNA P02545 3/20 0.45
PKM P14618 1/20 0.45
OPRK1 P41145 1/20 0.45
HTT P42858 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
SCHEMBL14484462 0.87 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL14198801 0.87 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL12924705 0.87 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL13665947 0.86 MEN1 (0.53) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL19669960 0.86 MEN1 (0.55) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL9910045 0.85 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL92429 0.85 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL13665941 0.85 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL15964178 0.85 MEN1 (0.52) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL13665957 0.84 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTTDP1

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
US-20090247672-A1 INK COMPOSITION, INK FOR INKJET RECORDING AND INK SET USING THE INK FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed