SCHEMBL7010102

SCHEMBL7010102

O=C(O)c1cccc(Oc2ccc3ccccc3c2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
PARG Q86W56 2/20 0.52
PARP1 P09874 1/20 0.52
GAA P10253 1/20 0.49
RCE1 Q9Y256 1/20 0.49
POLB P06746 3/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
MIF P14174 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDM4E B2RXH2 2/20 0.46
PYGL P06737 2/20 0.44
PYGM P11217 1/20 0.44
PTPN7 P35236 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1032471 0.87 MEN1 (0.58) MEN1KMT2AL3MBTL1PARGPARP1
SCHEMBL426354 0.85 KDM4E (0.55) POLBKDM4EPYGLPYGMALDH1A1
SCHEMBL261107 0.85 CTNNB1 (0.50) MEN1KMT2AL3MBTL1GAAPOLB
SCHEMBL31105217 0.85 CTNNB1 (0.50) MEN1KMT2AL3MBTL1GAAPOLB
SCHEMBL716921 0.84 PYGL (0.53) POLBKDM4EPYGLPYGMALDH1A1
SCHEMBL29404149 0.84 PYGL (0.53) POLBKDM4EPYGLPYGMALDH1A1
SCHEMBL425841 0.84 CTNNB1 (0.49) MEN1KMT2AL3MBTL1GAAPOLB
SCHEMBL29658106 0.84 CTNNB1 (0.49) MEN1KMT2AL3MBTL1GAAPOLB
SCHEMBL34487 0.84 CTNNB1 (0.58) MEN1KMT2AL3MBTL1GAAPOLB
SCHEMBL29435067 0.84 CTNNB1 (0.58) MEN1KMT2AL3MBTL1GAAPOLB

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-20030105321-A1 Substituted with sulfonamide, sulfonate, or thiosulfonate groups of given formula; Use as a colorant and a pigment precursor, especially in light-sensitive compositions for color filters WOLLEB ANNEMARIE (CH) 2003-06-05 US disclosed
EP-1119590-B1 SUBSTITUTED PHTHALOCYANINE CIBA SC HOLDING AG (CH) 2003-01-08 EP disclosed
US-6444807-B1 PHOTOSENSITIVITY; COLOR FILTERS CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-03 US disclosed