SCHEMBL493677

SCHEMBL493677

COc1ccc(-c2noc(C(=O)NCC(=O)NC3CCC(C(CCc4ccccc4)N(C)C)CC3)n2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 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
SCHEMBL494117 0.93 HPGD (0.50) KMT2AHPGD
SCHEMBL493502 0.90 KMT2A (0.40) KMT2AMAPTHPGD
SCHEMBL493354 0.88 CCR2 (0.42) KMT2AKDM4EMAPT
SCHEMBL493674 0.88 TDP1 (0.38) KMT2AKDM4EMAPTHPGD
SCHEMBL492980 0.87 KDM4E (0.45) KMT2AKDM4EMAPTHPGD
SCHEMBL493591 0.87 SMN1; SMN2 (0.47) KMT2AMAPT
SCHEMBL493737 0.86 KMT2A (0.49) KMT2AKDM4EMAPTHPGD
SCHEMBL493800 0.85 GHSR (0.38) KMT2AKDM4EMAPT
SCHEMBL493060 0.84 FAAH (0.44)
SCHEMBL493221 0.84 SMN1; SMN2 (0.56) KMT2AMAPT

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