SCHEMBL9504399

SCHEMBL9504399

Nc1c(C(=O)O[C@@H]2CC[C@@H]3CCCCC3C2)cc(NCc2ccccc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY4 P51582 3/20 0.46
ALOX15 P16050 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PKLR P30613 2/20 0.36
ADRA1A P35348 1/20 0.36
THRB P10828 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GRK6 P43250 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
HPGD P15428 2/20 0.35
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 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
SCHEMBL9504395 1.00 P2RY4 (0.46) P2RY4ALOX15MAPTALDH1A1LMNA
SCHEMBL9501751 0.93 P2RY4 (0.40) P2RY4ALOX15MAPTALDH1A1LMNA
SCHEMBL9501758 0.93 P2RY4 (0.40) P2RY4ALOX15MAPTALDH1A1LMNA
SCHEMBL9504281 0.91 P2RY4 (0.45) P2RY4ALOX15MAPTALDH1A1LMNA
SCHEMBL9504285 0.91 P2RY4 (0.45) P2RY4ALOX15MAPTALDH1A1LMNA
SCHEMBL9501396 0.89 MAPT (0.36) P2RY4MAPTALDH1A1LMNAADRA1A
SCHEMBL9501394 0.89 MAPT (0.36) P2RY4MAPTALDH1A1LMNAADRA1A
SCHEMBL9503140 0.88 P2RY4 (0.42) P2RY4ALOX15MAPTALDH1A1PKLR
SCHEMBL9503131 0.88 P2RY4 (0.42) P2RY4ALOX15MAPTALDH1A1PKLR
SCHEMBL9503114 0.87 P2RY4 (0.41) P2RY4ALOX15MAPTALDH1A1LMNA

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