SCHEMBL9501305

SCHEMBL9501305

CNc1cc(C(=O)O[C@@H]2CC[C@@H]3CCCCC3C2)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 2/20 0.37
GNB1 P62873 2/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
GRK6 P43250 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
P2RY4 P51582 2/20 0.35
P2RY12 Q9H244 2/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL9501297 1.00 GNG2 (0.37) GNG2GNB1MAPTKDM4EMAPK1
SCHEMBL9501644 0.92 GNG2 (0.37) GNG2GNB1MAPTKDM4EMAPK1
SCHEMBL9501647 0.92 GNG2 (0.37) GNG2GNB1MAPTKDM4EMAPK1
SCHEMBL9502991 0.91 GNG2 (0.36) GNG2GNB1MAPTKDM4EMAPK1
SCHEMBL9502995 0.91 GNG2 (0.36) GNG2GNB1MAPTKDM4EMAPK1
SCHEMBL9501320 0.91 ALDH1A1 (0.37) GNG2GNB1MAPTKDM4EMAPK1
SCHEMBL9501325 0.91 ALDH1A1 (0.37) GNG2GNB1MAPTKDM4EMAPK1
SCHEMBL9501396 0.90 MAPT (0.36) MAPTKDM4EMAPK1GRK6MEN1
SCHEMBL9501394 0.90 MAPT (0.36) MAPTKDM4EMAPK1GRK6MEN1
SCHEMBL10579937 0.87 MAPT (0.34) MAPTKDM4EMAPK1GRK6MEN1

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