SCHEMBL5822263

SCHEMBL5822263

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
PTK2B Q14289 1/20 0.54
USP2 O75604 2/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
KMT2A Q03164 9/20 0.45
MEN1 O00255 6/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
DHFR P00374 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRKCA P17252 3/20 0.41
PRKCE Q02156 3/20 0.41
RASGRP3 Q8IV61 3/20 0.41
CNR2 P34972 1/20 0.40
CRHBP P24387 1/20 0.40

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
SCHEMBL5822258 1.00 MAPT (0.54) MAPTNPSR1HTTLMNAPTK2B
SCHEMBL5822401 0.91 MAPT (0.56) MAPTNPSR1HTTLMNAPTK2B
SCHEMBL5822395 0.91 MAPT (0.56) MAPTNPSR1HTTLMNAPTK2B
SCHEMBL5822192 0.86 KMT2A (0.52) MAPTNPSR1HTTLMNAPTK2B
SCHEMBL5822188 0.86 KMT2A (0.52) MAPTNPSR1HTTLMNAPTK2B
SCHEMBL5822238 0.81 MAPT (0.46) MAPTNPSR1HTTLMNAPTK2B
SCHEMBL5822245 0.81 MAPT (0.46) MAPTNPSR1HTTLMNAPTK2B
SCHEMBL5822419 0.81 MAPT (0.47) MAPTNPSR1HTTLMNAPTK2B
SCHEMBL5822424 0.81 MAPT (0.47) MAPTNPSR1HTTLMNAPTK2B
SCHEMBL5820835 0.78 ALDH1A1 (0.57) MAPTNPSR1HTTLMNAPTK2B

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