SCHEMBL6220487

SCHEMBL6220487

CCc1cccc2sc(Br)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
IDO1 P14902 1/20 0.48
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 2/20 0.37
SLC2A1 P11166 1/20 0.37
DYRK1A Q13627 1/20 0.37
NPC1 O15118 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
SCHEMBL17242039 0.83 MEN1 (0.39) MEN1KMT2AIDO1MAPTSMN1; SMN2
SCHEMBL12109857 0.81 MEN1 (0.51) MEN1KMT2AIDO1GABRA1GABRB2
SCHEMBL5537888 0.81 MEN1 (0.51) MEN1KMT2AIDO1GABRA1GABRB2
SCHEMBL11834129 0.81 MEN1 (0.51) MEN1KMT2AIDO1GABRA1GABRB2
SCHEMBL7469260 0.80 ALDH1A1 (0.59) MEN1KMT2AIDO1GABRA1GABRB2
SCHEMBL1771923 0.80 MEN1 (0.50) MEN1KMT2AIDO1GABRA1GABRB2
SCHEMBL201830 0.80 ALDH1A1 (0.61) MEN1KMT2AIDO1MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28528068 0.80 MEN1 (0.50) MEN1KMT2AIDO1GABRA1GABRB2
SCHEMBL5537891 0.80 MEN1 (0.54) MEN1KMT2AIDO1GABRA1GABRB2
SCHEMBL2139684 0.80 MAPT (0.62) MEN1KMT2AIDO1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed