SCHEMBL5262912

SCHEMBL5262912

CN1CCN(C(CC=O)c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BCL2A1 Q16548 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
MC4R P32245 4/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
HTT P42858 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL5259902 0.80 ADRA2C (0.44) MC4RMEN1KMT2ASLC6A3
SCHEMBL21200200 0.74 KMT2A (0.55) ALDH1A1TDP1MAPTSMN1; SMN2MEN1
SCHEMBL21200199 0.74 KMT2A (0.55) ALDH1A1TDP1MAPTSMN1; SMN2MEN1
SCHEMBL28418775 0.71 MC4R (0.55) ALDH1A1MC4RMEN1KMT2AL3MBTL1
SCHEMBL22164017 0.70 MC4R (0.47) MC4RSLC6A2SLC6A3
SCHEMBL15272230 0.69 LMNA (0.47) KDM4EALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL9865491 0.68 KMT2A (0.41) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1203455 0.67 SIRT6 (0.66) KDM4EALDH1A1BCL2A1MAPTSMN1; SMN2
SCHEMBL30198400 0.67 SIRT6 (0.66) KDM4EALDH1A1BCL2A1MAPTSMN1; SMN2
SCHEMBL2716970 0.67 ALDH1A1 (0.73) KDM4EALDH1A1TDP1MC4RMAPT

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-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO disclosed