SCHEMBL8082827

SCHEMBL8082827

O=Cc1cn(CCCCCl)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.68
SMN1; SMN2 Q16637 7/20 0.68
HTT P42858 5/20 0.68
MAPT P10636 3/20 0.68
LMNA P02545 3/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
HPGD P15428 1/20 0.68
POLB P06746 2/20 0.58
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
IMPDH2 P12268 1/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.50

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
SCHEMBL6646033 0.95 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL14519061 0.91 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL27552085 0.89 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL28479263 0.85 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL11903655 0.85 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL29277397 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL29071735 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL9317815 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL29277420 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL8702147 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HTTMAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044214-A1 METHOD FOR BINDING ALBUMIN AND MEANS TO BE USED IN THE METHOD Amersham Pharmacia Biotech AB (SE) 2000-10-18 EP disclosed
US-5994507-A CONTACTING AQUEOUS LIQUID CONTAINING ALBUMIN WITH A COMPOUND CONTAINING THE SCAFFOLD--C(=O)-NH-C(=C-)-C(=O)- AND HAVING BEEN PRE-CHECKED TO BIND TO THE ALBUMIN; FOR REMOVAL OF ALBUMIN FROM A SOLUTION OR FOR PURIFICATION OF ALBUMIN AMERSHAM PHARMACIA BIOTECH AB (SE) 1999-11-30 US disclosed
WO-1999033860-A1 METHOD FOR BINDING ALBUMIN AND MEANS TO BE USED IN THE METHOD AMERSHAM PHARMACIA BIOTECH AB (SE) 1999-07-08 WO disclosed