SCHEMBL7008991

SCHEMBL7008991

O=C(O)c1cccc(Sc2ccc3ccccc3c2)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
NSD2 O96028 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
SIRT1 Q96EB6 2/20 0.41
CDC25B P30305 1/20 0.41
ANPEP P15144 1/20 0.41
IDO1 P14902 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL5660360 0.87 POLB (0.53) POLBNR4A1NR4A2NR4A3NSD2
SCHEMBL11584658 0.84 KDM4E (0.46) POLBNSD2SIRT1CDC25BCA12
SCHEMBL8639079 0.84 POLB (0.57) POLBNSD2SIRT1IDO1PKM
SCHEMBL942508 0.84 SIRT1 (0.58) POLBNR4A1NR4A2NR4A3NSD2
SCHEMBL29435080 0.84 SIRT1 (0.58) POLBNR4A1NR4A2NR4A3NSD2
SCHEMBL11669341 0.81 SIRT1 (0.46) POLBNSD2ACMSDSIRT1CDC25B
SCHEMBL11669736 0.80 SIRT1 (0.42) POLBNSD2SIRT1CA12CA1
SCHEMBL429972 0.80 POLB (0.54) POLBNR4A1NR4A2NR4A3SIRT1
SCHEMBL29568923 0.80 POLB (0.54) POLBNR4A1NR4A2NR4A3SIRT1
SCHEMBL11670175 0.79 ALDH1A1 (0.43) POLBNSD2SIRT1PKM

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