SCHEMBL5822192

SCHEMBL5822192

CC(C)(C)C(=O)OCn1cc(C=C2C(=O)N(CN3CCCCC3)c3ccccc32)c2ccccc21.O=C(CC1CCCCC1)OCn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.52
MEN1 O00255 8/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.47
DHFR P00374 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
PTK2B Q14289 1/20 0.42
USP2 O75604 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
NTRK1 P04629 1/20 0.39
MAP3K5 Q99683 1/20 0.39
SYK P43405 1/20 0.38
PRKCA P17252 1/20 0.37
PRKCE Q02156 1/20 0.37
RASGRP3 Q8IV61 1/20 0.37

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
SCHEMBL5822188 1.00 KMT2A (0.52) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5822258 0.86 MAPT (0.54) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5822263 0.86 MAPT (0.54) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5822521 0.84 KMT2A (0.60) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5822520 0.84 KMT2A (0.60) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5821804 0.80 DHFR (0.64) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5821802 0.80 DHFR (0.64) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5822401 0.78 MAPT (0.56) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5822395 0.78 MAPT (0.56) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5822245 0.74 MAPT (0.46) KMT2AMEN1MAPTNPSR1SMN1; SMN2

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