SCHEMBL9501719

SCHEMBL9501719

CCCCc1cc(C(=O)OC2CCC3CCCCC3C2)c(N)c2c1C(=O)c1ccccc1C2=S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 9/20 0.34
HTR3B O95264 9/20 0.34
HTR3A P46098 9/20 0.34
HTR3D Q70Z44 9/20 0.34
HTR3C Q8WXA8 9/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GRK6 P43250 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL9501664 0.88 SCN1A (0.33) SMN1; SMN2MAPTMAPK1ATMMEN1
SCHEMBL9503042 0.85 HTR3E (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9504302 0.85 HTR3E (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9501447 0.80 SCN1A (0.33) SMN1; SMN2MAPTMEN1KMT2APKM
SCHEMBL9501371 0.80 SCN1A (0.33) SMN1; SMN2MAPTMEN1KMT2APKM
SCHEMBL9501609 0.80 SOAT1 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9501606 0.80 SOAT1 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9505227 0.79 SCN1A (0.31)
SCHEMBL9503123 0.78 MEN1 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9503120 0.78 MEN1 (0.51) 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