SCHEMBL9504257

SCHEMBL9504257

Cc1ccc(Nc2cc(C(=O)OC3CCC4CCCCC4C3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 11/20 0.48
P2RY4 P51582 11/20 0.48
P2RY12 Q9H244 6/20 0.43
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
GNG2 P59768 2/20 0.41
GNB1 P62873 2/20 0.41
P2RY6 Q15077 4/20 0.39
ENTPD1 P49961 2/20 0.39
MET P08581 1/20 0.39
HGF P14210 1/20 0.39
P2RY1 P47900 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
SCHEMBL9503097 0.93 P2RY4 (0.48) P2RY2P2RY4P2RY12NTRK1NTRK2
SCHEMBL10580492 0.92 P2RY2 (0.47) P2RY2P2RY4P2RY12NTRK1NTRK2
SCHEMBL9502281 0.92 P2RY2 (0.49) P2RY2P2RY4P2RY12PHLPP2GNG2
SCHEMBL9503060 0.91 P2RY4 (0.45) P2RY2P2RY4P2RY12NTRK1NTRK2
SCHEMBL9503056 0.91 P2RY4 (0.45) P2RY2P2RY4P2RY12NTRK1NTRK2
SCHEMBL9505247 0.90 P2RY2 (0.53) P2RY2P2RY4P2RY12NTRK1NTRK2
SCHEMBL9505254 0.90 P2RY2 (0.53) P2RY2P2RY4P2RY12NTRK1NTRK2
SCHEMBL9501758 0.87 P2RY4 (0.40) P2RY2P2RY4
SCHEMBL9501751 0.87 P2RY4 (0.40) P2RY2P2RY4
SCHEMBL9501305 0.87 GNG2 (0.37) P2RY2P2RY4P2RY12NTRK1NTRK2

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