SCHEMBL7192259

SCHEMBL7192259

CCCCCN(C)CC#Cc1ccc(N(C)C(=O)Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LSS P48449 2/20 0.43
LIPE Q05469 2/20 0.42
SRD5A1 P18405 3/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 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
SCHEMBL7201224 0.84 SMN1; SMN2 (0.52) KCNH2SMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL3365485 0.83 SMN1; SMN2 (0.49) SMN1; SMN2MAPTLMNAL3MBTL1LSS
SCHEMBL3368384 0.81 SMN1; SMN2 (0.51) SMN1; SMN2MAPTLMNAL3MBTL1LSS
SCHEMBL3365632 0.74 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLMNAL3MBTL1LIPE
SCHEMBL3369187 0.73 MAPT (0.53) KCNH2SMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL7204877 0.73 LSS (0.76) KCNH2LSS
SCHEMBL7178386 0.73 THRA (0.47) SMN1; SMN2LMNALSSLIPENPC1
SCHEMBL3363725 0.72 LSS (0.55) SMN1; SMN2MAPTLMNAL3MBTL1LSS
SCHEMBL7173887 0.72 LIPE (0.48) SMN1; SMN2LMNALSSLIPESRD5A1
SCHEMBL3365198 0.72 LSS (0.57) SMN1; SMN2MAPTLMNAL3MBTL1LSS

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-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed