SCHEMBL9501646

SCHEMBL9501646

Nc1c(C(=O)O[C@@H]2CC[C@@H]3CC(F)CCC3C2)cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY4 P51582 9/20 0.44
P2RY12 Q9H244 7/20 0.42
GNG2 P59768 2/20 0.39
GNB1 P62873 2/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
P2RY2 P41231 7/20 0.38
ENTPD1 P49961 2/20 0.38
P2RY6 Q15077 2/20 0.38
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
MET P08581 2/20 0.38
HGF P14210 2/20 0.38

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
SCHEMBL9501642 1.00 P2RY4 (0.44) P2RY4P2RY12GNG2GNB1PHLPP2
SCHEMBL9503056 0.92 P2RY4 (0.45) P2RY4P2RY12GNG2GNB1PHLPP2
SCHEMBL9503060 0.92 P2RY4 (0.45) P2RY4P2RY12GNG2GNB1PHLPP2
SCHEMBL9501672 0.89 P2RY4 (0.43) P2RY4P2RY12GNG2GNB1PHLPP2
SCHEMBL9501667 0.89 P2RY4 (0.43) P2RY4P2RY12GNG2GNB1PHLPP2
SCHEMBL9502305 0.89 P2RY2 (0.51) P2RY4P2RY12GNG2GNB1PHLPP2
SCHEMBL9502310 0.89 P2RY2 (0.51) P2RY4P2RY12GNG2GNB1PHLPP2
SCHEMBL9504316 0.88 P2RY4 (0.42) P2RY4P2RY12GNG2GNB1PHLPP2
SCHEMBL9504308 0.88 P2RY4 (0.42) P2RY4P2RY12GNG2GNB1PHLPP2
SCHEMBL10580492 0.84 P2RY2 (0.47) P2RY4P2RY12GNG2GNB1PHLPP2

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