SCHEMBL9502341

SCHEMBL9502341

CCCCCCCCOC1CCC2CC(OC(=O)c3cc(NC)c4c(c3N)C(=O)c3ccccc3C4=O)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 7/20 0.37
HTR3B O95264 7/20 0.37
HTR3A P46098 7/20 0.37
HTR3D Q70Z44 7/20 0.37
HTR3C Q8WXA8 7/20 0.37
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GNG2 P59768 1/20 0.33
GNB1 P62873 1/20 0.33
MAPK1 P28482 3/20 0.32
GRK6 P43250 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL9502345 1.00 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9505238 0.87 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9505232 0.87 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503131 0.86 P2RY4 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503140 0.86 P2RY4 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9501305 0.85 GNG2 (0.37) ALDH1A1LMNAKDM4ESMN1; SMN2GNG2
SCHEMBL9501647 0.85 GNG2 (0.37) KDM4ESMN1; SMN2GNG2GNB1MAPK1
SCHEMBL9501297 0.85 GNG2 (0.37) ALDH1A1LMNAKDM4ESMN1; SMN2GNG2
SCHEMBL9501644 0.85 GNG2 (0.37) KDM4ESMN1; SMN2GNG2GNB1MAPK1
SCHEMBL9501378 0.84 P2RY4 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C

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 2 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