SCHEMBL6225342

SCHEMBL6225342

CC(C)(C)c1ccc(NC(=O)c2cccnc2NCCc2ccnc(OC3CN(C(c4ccccc4)c4ccccc4)C3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
MAPT P10636 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDR P35968 13/20 0.41

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
SCHEMBL446239 0.93 KDR (0.47) MEN1MAPTKMT2AKDR
SCHEMBL6227372 0.88 KDR (0.50) KDR
SCHEMBL428290 0.77 KDR (0.53) KDR
SCHEMBL447790 0.77 KDR (0.51) KDR
SCHEMBL449114 0.76 KDR (0.50) KDR
SCHEMBL448276 0.72 MEN1 (0.64) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL427707 0.72 KDR (0.50) KDR
SCHEMBL5550549 0.71 KDR (0.52) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL448567 0.71 KDR (0.49) KDR
SCHEMBL445284 0.71 KDR (0.49) KDR

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
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed