SCHEMBL9502991

SCHEMBL9502991

CNc1cc(C(=O)OC2CCC3CC(Cl)CCC3C2)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 2/20 0.36
GNB1 P62873 2/20 0.36
MAPT P10636 5/20 0.36
MAPK1 P28482 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
THRB P10828 2/20 0.36
GRK6 P43250 1/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RY4 P51582 3/20 0.34
P2RY12 Q9H244 3/20 0.34
PHLPP2 Q6ZVD8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MMP14 P50281 1/20 0.33
POLB P06746 3/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL9502995 1.00 GNG2 (0.36) GNG2GNB1MAPTMAPK1MEN1
SCHEMBL9501644 0.91 GNG2 (0.37) GNG2GNB1MAPTMAPK1MEN1
SCHEMBL9501305 0.91 GNG2 (0.37) GNG2GNB1MAPTMAPK1MEN1
SCHEMBL9501647 0.91 GNG2 (0.37) GNG2GNB1MAPTMAPK1MEN1
SCHEMBL9501297 0.91 GNG2 (0.37) GNG2GNB1MAPTMAPK1MEN1
SCHEMBL9501325 0.91 ALDH1A1 (0.37) GNG2GNB1MAPTMAPK1MEN1
SCHEMBL9501320 0.91 ALDH1A1 (0.37) GNG2GNB1MAPTMAPK1MEN1
SCHEMBL9505348 0.90 MAPT (0.34) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL9505343 0.90 MAPT (0.34) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL10580492 0.88 P2RY2 (0.47) GNG2GNB1P2RY4P2RY12PHLPP2

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