SCHEMBL493429

SCHEMBL493429

COc1ccc(-c2noc(C(=O)NCCC(=O)NC3CCC(C(c4ccccc4)N(C)C)CC3)n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL493737 0.92 KMT2A (0.49) HPGDKMT2AKDM4EMAPT
SCHEMBL493611 0.88 SMYD3 (0.43) HPGDKMT2AMAPTMEN1
SCHEMBL494528 0.88 SMN1; SMN2 (0.39) HPGDKMT2AKDM4EMAPT
SCHEMBL494117 0.87 HPGD (0.50) HPGDKMT2A
SCHEMBL493471 0.84 PRCP (0.44) KDM4E
SCHEMBL493504 0.83 SMN1; SMN2 (0.53) HPGDKMT2AKDM4EMAPTMEN1
SCHEMBL493213 0.83 KMT2A (0.41) KMT2A
SCHEMBL494415 0.81 TSHR (0.42) HPGDKMT2AMEN1
SCHEMBL492913 0.80 RAB9A (0.39) HPGDKMT2AKDM4EMAPT
SCHEMBL493677 0.79 KMT2A (0.49) HPGDKMT2AKDM4EMAPT

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed