SCHEMBL4560586

SCHEMBL4560586

CCC(C)CC[N]CCNc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6284685 0.84 MAPT (0.50) ALDH1A1MAPTL3MBTL1KMT2ALMNA
SCHEMBL10606669 0.81 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1KMT2ANPBWR1
SCHEMBL11040887 0.79 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KMT2ANPBWR1
SCHEMBL1848362 0.78 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1KMT2ALMNA
SCHEMBL4560587 0.78 MAPT (0.44) ALDH1A1MAPTL3MBTL1KMT2ANPBWR1
SCHEMBL20318842 0.75 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL7193484 0.74 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1KMT2ALMNA
SCHEMBL4560585 0.73 TDP1 (0.42) ALDH1A1MAPTL3MBTL1KMT2ALMNA
SCHEMBL277291 0.73 TSHR (0.30) TSHR
SCHEMBL489425 0.72 MAPT (0.47) ALDH1A1MAPTL3MBTL1KMT2ALMNA

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-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US claimed