SCHEMBL16708752

SCHEMBL16708752

O=C(CBr)Oc1ccc2sc3ccccc3c(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MAPT P10636 5/20 0.59
KDM4E B2RXH2 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
HPGD P15428 3/20 0.43
HCRTR1 O43613 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL28849786 0.86 ALDH1A1 (0.63) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL3691554 0.84 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL30998124 0.82 MAPT (0.68) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL3233829 0.82 MAPT (0.68) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL25524547 0.80 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL85778 0.80 MAPT (0.61) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL30998139 0.80 MAPT (0.61) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL10962265 0.80 MAPT (0.69) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL12748075 0.78 KDM4E (0.50) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL16711126 0.78 KDM4E (0.49) ALDH1A1MAPTKDM4ENPC1RAB9A

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
US-20150132544-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed
US-20150132544-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed