SCHEMBL5328167

SCHEMBL5328167

Cc1ccc(-c2ccc3c(CC(=O)NCCN(C)C4CCCC4)c[nH]c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ICMT O60725 1/20 0.43
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK2 P24941 1/20 0.39
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
CNR2 P34972 1/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL5323221 0.93 MAPT (0.45) MAPTALDH1A1L3MBTL1ICMTLMNA
SCHEMBL5326162 0.92 ALDH1A1 (0.46) MAPTALDH1A1L3MBTL1CDK4CCND1
SCHEMBL5321279 0.92 ICMT (0.53) MAPTALDH1A1L3MBTL1ICMTCDK4
SCHEMBL5321280 0.91 ICMT (0.46) MAPTALDH1A1L3MBTL1ICMTCDK4
SCHEMBL5321455 0.91 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1CDK4CCND1
SCHEMBL5325121 0.91 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL5326617 0.91 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1ICMTLMNA
SCHEMBL5329767 0.91 MAPT (0.45) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL5330027 0.90 ALDH1A1 (0.44) MAPTALDH1A1L3MBTL1CDK4CCND1
SCHEMBL5415056 0.90 SMN1; SMN2 (0.45) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2

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