SCHEMBL5328172

SCHEMBL5328172

Cc1ccc(-c2ccc3c(CC(=O)NCCN(C)C4CCCCC4)c[nH]c3c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
KDM1A O60341 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5328167 0.88 MAPT (0.44) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5325721 0.87 ALDH1A1 (0.43) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5328217 0.87 MAPT (0.43) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5440336 0.87 ALDH1A1 (0.40) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5321280 0.86 ICMT (0.46) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5321455 0.86 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5323221 0.86 MAPT (0.45) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5323736 0.86 BACE1 (0.46) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5324911 0.84 ICMT (0.45) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5326162 0.84 ALDH1A1 (0.46) MAPTALDH1A1L3MBTL1KMT2AMEN1

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
WO-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO disclosed