SCHEMBL6827588

SCHEMBL6827588

CCCCC(Oc1ccc(C#N)cc1)Oc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.47
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2A6 P11509 1/20 0.41
HRH3 Q9Y5N1 4/20 0.39
ABCB11 O95342 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.37
PGR P06401 1/20 0.37
SLC6A4 P31645 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17274266 0.95 MGLL (0.47) MGLLTSHRHSD17B10ALDH1A1HPGD
SCHEMBL12130707 0.81 ALDH1A1 (0.43) MGLLTSHRHSD17B10ALDH1A1HPGD
SCHEMBL18938235 0.80 MGLL (0.49) MGLLTSHRHSD17B10ALDH1A1HPGD
SCHEMBL14513914 0.80 MGLL (0.49) MGLLTSHRHSD17B10ALDH1A1HPGD
SCHEMBL12130704 0.80 MGLL (0.42) MGLLTSHRHSD17B10ALDH1A1HPGD
SCHEMBL1972561 0.79 GSK3B (0.43) MGLLALDH1A1HPGDMAPTRAB9A
SCHEMBL8433659 0.79 MGLL (0.48) MGLLTSHRHSD17B10ALDH1A1HPGD
SCHEMBL8432085 0.79 MGLL (0.48) MGLLTSHRHSD17B10ALDH1A1HPGD
SCHEMBL8432091 0.79 MGLL (0.48) MGLLTSHRHSD17B10ALDH1A1HPGD
SCHEMBL12130708 0.79 MGLL (0.41) MGLLTSHRHSD17B10ALDH1A1HPGD

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-1420773-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS Neurochem (International) Limited (CH) 2004-05-26 EP disclosed
WO-2003017994-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2003-03-06 WO disclosed