SCHEMBL9503219

SCHEMBL9503219

CCCSc1cc(C(=O)OC2CCC3CCCCC3C2)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 3/20 0.34
FGB P02675 1/20 0.34
MAPT P10636 5/20 0.34
MAPK1 P28482 3/20 0.34
ATM Q13315 1/20 0.34
THRB P10828 2/20 0.34
GRK6 P43250 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR3E A5X5Y0 6/20 0.33
HTR3B O95264 6/20 0.33
HTR3A P46098 6/20 0.33
HTR3D Q70Z44 6/20 0.33
HTR3C Q8WXA8 6/20 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
SCHEMBL9503220 1.00 SOAT1 (0.34) SOAT1MEN1KMT2APOLBFGB
SCHEMBL9501609 0.95 SOAT1 (0.36) SOAT1MEN1KMT2APOLBFGB
SCHEMBL9501606 0.95 SOAT1 (0.36) SOAT1MEN1KMT2APOLBFGB
SCHEMBL9502437 0.93 MAPT (0.35) SOAT1MEN1KMT2APOLBFGB
SCHEMBL9501652 0.88 MAPT (0.32) MEN1KMT2APOLBFGBMAPT
SCHEMBL9503142 0.88 MAPT (0.37) MEN1KMT2APOLBMAPTMAPK1
SCHEMBL9503133 0.88 MAPT (0.37) MEN1KMT2APOLBMAPTMAPK1
SCHEMBL9503047 0.88 MEN1 (0.36) MEN1KMT2APOLBFGBMAPT
SCHEMBL9503054 0.88 MEN1 (0.36) MEN1KMT2APOLBFGBMAPT
SCHEMBL9505392 0.87 HTR3E (0.34) SOAT1MEN1KMT2APOLBFGB

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