SCHEMBL9501751

SCHEMBL9501751

Cc1ccc(CNc2cc(C(=O)OC3CCC4CCCCC4C3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY4 P51582 4/20 0.40
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 2/20 0.35
P2RY2 P41231 2/20 0.34
PKLR P30613 1/20 0.34
ADRA1A P35348 1/20 0.34
GRK6 P43250 1/20 0.34
CDK2 P24941 1/20 0.34
HPGD P15428 3/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
ALOX12 P18054 1/20 0.33
STAT3 P40763 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9501758 1.00 P2RY4 (0.40) P2RY4MAPTALDH1A1TDP1NPSR1
SCHEMBL9504399 0.93 P2RY4 (0.46) P2RY4MAPTALDH1A1NPSR1MAPK1
SCHEMBL9504395 0.93 P2RY4 (0.46) P2RY4MAPTALDH1A1NPSR1MAPK1
SCHEMBL9502254 0.92 P2RY4 (0.39) P2RY4MAPTALDH1A1TDP1NPSR1
SCHEMBL9502251 0.92 P2RY4 (0.39) P2RY4MAPTALDH1A1TDP1NPSR1
SCHEMBL9503080 0.91 P2RY4 (0.38) P2RY4MAPTALDH1A1TDP1NPSR1
SCHEMBL9503086 0.91 P2RY4 (0.38) P2RY4MAPTALDH1A1TDP1NPSR1
SCHEMBL9501378 0.89 P2RY4 (0.37) P2RY4MAPTALDH1A1TDP1NPSR1
SCHEMBL9501381 0.89 P2RY4 (0.37) P2RY4MAPTALDH1A1TDP1NPSR1
SCHEMBL9501396 0.88 MAPT (0.36) P2RY4MAPTALDH1A1NPSR1MAPK1

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