SCHEMBL13467604

SCHEMBL13467604

c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc3c(cc21)sc1ccccc13

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.47
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
ALOX5 P09917 1/20 0.35
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33

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
SCHEMBL23184184 0.94 GPR3 (0.41) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL23184309 0.94 GPR3 (0.41) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL22930728 0.92 MAPT (0.47) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL19760320 0.90 MAPT (0.47) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL18156881 0.90 MAPT (0.48) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL13467824 0.85 ALDH1A1 (0.35) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL13467817 0.85 MAPT (0.42) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL13467608 0.84 ALDH1A1 (0.34) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL23184307 0.83 GPR3 (0.40) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL23184192 0.83 GPR3 (0.40) GPR3MAPTALDH1A1TDP1L3MBTL1

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
US-20140027757-A1 NOVEL SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
US-20140027757-A1 NOVEL SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
WO-2012141229-A1 NOVEL SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-10-18 WO disclosed