SCHEMBL12798105

SCHEMBL12798105

CCCCCCCCCC(CCCCCCCCOC(=O)Cc1cc(Br)c(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)c1)C(CCCCCCCCC)CCCCCCCCOC(=O)Cc1cc(Br)c(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PRKCA P17252 2/20 0.35
▸ THRA P10827 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PLAUR Q03405 2/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ PTPN11 Q06124 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
SCHEMBL12798093 0.96 MEN1 (0.43) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL13884758 0.89 MEN1 (0.41) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL12798101 0.88 LMNA (0.52) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL13884751 0.84 MEN1 (0.40) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL13884920 0.84 MEN1 (0.40) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL12798104 0.84 MEN1 (0.50) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL13884754 0.83 MEN1 (0.43) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL12798097 0.82 KMT2A (0.50) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL13884855 0.82 MEN1 (0.39) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL13423632 0.81 TRPV1 (0.49) MEN1NPC1LMNAMAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7901496-B2 Phase change inks XEROX CORPORATION (US) 2011-03-08 — — US disclosed
US-7901496-B2 Phase change inks XEROX CORPORATION (US) 2011-03-08 — — US disclosed
US-7683192-B2 Colorant compounds XEROX CORPORATION (US) 2010-03-23 — — US disclosed
US-7683192-B2 Colorant compounds XEROX CORPORATION (US) 2010-03-23 — — US disclosed
Send feedback