SCHEMBL16428645

SCHEMBL16428645

Brc1ccc(-c2[c]ccc3sc4ccccc4c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.38
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
PTPN1 P18031 1/20 0.33
POLB P06746 1/20 0.33
DUSP3 P51452 1/20 0.33
BLM P54132 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
MCL1 Q07820 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPAS1 Q99814 1/20 0.31
NR1I3 Q14994 1/20 0.31

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
SCHEMBL21295686 0.87 GPR3 (0.43) GPR3MAPTMEN1KMT2ARAB9A
SCHEMBL21295660 0.82 GPR3 (0.38) GPR3MAPTMEN1KMT2ARAB9A
SCHEMBL21296038 0.75 NPC1 (0.41) GPR3MAPTMEN1KMT2ARAB9A
SCHEMBL7601586 0.75 MAPT (0.38) GPR3MAPTMEN1KMT2ARAB9A
SCHEMBL20232213 0.74 GPR3 (0.43) GPR3MAPTMEN1KMT2ARAB9A
SCHEMBL29778189 0.74 GPR3 (0.43) GPR3MAPTMEN1KMT2ARAB9A
SCHEMBL21296070 0.72 MIF (0.44) GPR3MAPTMEN1KMT2ARAB9A
SCHEMBL9057566 0.71 MAOA (0.39)
SCHEMBL21296130 0.70 GPR3 (0.46) GPR3MAPTMEN1KMT2ARAB9A
SCHEMBL17383093 0.70 GPR3 (0.42) GPR3MAPTMEN1KMT2ARAB9A

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
US-20150034924-A1 NOVEL TRIPHENYLENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES USING SAID DERIVATIVES HODOGAYA CHEMICAL CO., LTD. (JP) 2015-02-05 US disclosed