SCHEMBL5822183

SCHEMBL5822183

CN1CCN(CC(=O)Cn2cc(/C=C3\C(=O)Nc4ccccc43)c3ccccc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.63
MEN1 O00255 7/20 0.63
MAPT P10636 4/20 0.63
NPSR1 Q6W5P4 3/20 0.63
POLB P06746 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
DHFR P00374 4/20 0.61
NTRK1 P04629 1/20 0.59
MAP3K5 Q99683 1/20 0.59
SYK P43405 2/20 0.49
USP2 O75604 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
FCER2 P06734 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
PTK2B Q14289 1/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47

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
SCHEMBL5822198 1.00 KMT2A (0.63) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL26434393 0.82 KMT2A (0.75) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL5822284 0.82 KMT2A (0.75) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL5822283 0.82 KMT2A (0.75) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL5476058 0.81 KMT2A (0.77) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL5476060 0.81 KMT2A (0.77) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL5482789 0.79 KMT2A (0.66) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL5482792 0.79 KMT2A (0.66) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL5468658 0.79 NTRK1 (0.72) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL14448834 0.79 NTRK1 (0.72) KMT2AMEN1MAPTNPSR1POLB

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
WO-2006105796-A1 NOVEL INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2006-10-12 WO disclosed