SCHEMBL28087595

SCHEMBL28087595

CCCCN1C(=O)c2cccc3c(NCCCCCCN)ccc(c23)C1=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.83
MEN1 O00255 5/20 0.83
MAPT P10636 3/20 0.83
HTT P42858 3/20 0.83
USP2 O75604 3/20 0.83
POLB P06746 2/20 0.83
ATM Q13315 2/20 0.83
RGS12 O14924 1/20 0.83
MAPK1 P28482 1/20 0.83
NPSR1 Q6W5P4 1/20 0.83
TLR9 Q9NR96 1/20 0.83
TDP1 Q9NUW8 1/20 0.83
L3MBTL1 Q9Y468 1/20 0.83
FGFR1 P11362 2/20 0.67
KDR P35968 2/20 0.67
PDGFRA P16234 1/20 0.67
DYRK3 O43781 1/20 0.66
RPS6KB1 P23443 1/20 0.66
EPHA2 P29317 1/20 0.66
FLT4 P35916 1/20 0.66

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
SCHEMBL1505189 0.93 MEN1 (0.70) KMT2AMEN1MAPTHTTUSP2
SCHEMBL1580102 0.92 KMT2A (0.84) KMT2AMEN1MAPTHTTUSP2
SCHEMBL7799818 0.91 KMT2A (0.86) KMT2AMEN1MAPTHTTUSP2
SCHEMBL8396375 0.91 KMT2A (0.86) KMT2AMEN1MAPTHTTUSP2
SCHEMBL8397978 0.91 KMT2A (0.86) KMT2AMEN1MAPTHTTUSP2
SCHEMBL372370 0.91 KMT2A (1.00) KMT2AMEN1MAPTHTTUSP2
SCHEMBL29460431 0.91 KMT2A (1.00) KMT2AMEN1MAPTHTTUSP2
SCHEMBL9386920 0.90 KMT2A (0.77) KMT2AMEN1MAPTHTTUSP2
SCHEMBL3886877 0.90 KMT2A (0.77) KMT2AMEN1MAPTHTTUSP2
SCHEMBL31373085 0.90 KMT2A (0.65) KMT2AMEN1MAPTHTTUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105738327-B The building of novel fluorescence polarization sensor and its application based on small-molecule fluorescent probe SHANGHAI NORMAL UNIVERSITY (CN) 2019-10-29 CN disclosed
CN-105738327-A Construction method and application of micro-molecular fluorescence probe-based novel fluorescence polarization sensor 上海师范大学 2016-07-06 CN disclosed