SCHEMBL9502339

SCHEMBL9502339

CCCCC1CCC2C[C@H](OC(=O)c3cc(SCc4ccccc4)c4c(c3N)C(=O)c3ccccc3C4=O)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA6 P23280 3/20 0.33
CA5A P35218 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA13 Q8N1Q1 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
CA4 P22748 2/20 0.33
HTR3E A5X5Y0 7/20 0.32
HTR3B O95264 7/20 0.32
HTR3A P46098 7/20 0.32
HTR3D Q70Z44 7/20 0.32
HTR3C Q8WXA8 7/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9502337 1.00 CA12 (0.33) CA12CA1CA2CA6CA5A
SCHEMBL9501708 0.90 HTR3E (0.35) CA12CA1CA2CA6CA5A
SCHEMBL9501703 0.90 HTR3E (0.35) CA12CA1CA2CA6CA5A
SCHEMBL9503047 0.87 MEN1 (0.36) CA12CA1CA2CA6CA5A
SCHEMBL9503054 0.87 MEN1 (0.36) CA12CA1CA2CA6CA5A
SCHEMBL9503128 0.86 MEN1 (0.35) CA12CA1CA2CA6CA5A
SCHEMBL9503124 0.86 MEN1 (0.35) CA12CA1CA2CA6CA5A
SCHEMBL9503193 0.85 HTR3E (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503196 0.85 HTR3E (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503114 0.85 P2RY4 (0.41) CA12CA1CA2CA6CA5A

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
EP-0307866-B1 DICHROIC COLORING AGENTS FOR LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-05-12 EP disclosed
US-4883611-A ANTHRAQUINONE COMPOUND CONTAINING DECAHYDRONAPHTHYL GROUP MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-11-28 US disclosed
EP-0307866-A2 Dichroic coloring agents for liquid crystal displays MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-22 EP disclosed