SCHEMBL9501438

SCHEMBL9501438

Cc1ccc(CCSc2cc(C(=O)OC3CCC4CC(Br)CCC4C3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 3/20 0.31
PKM P14618 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
STAT3 P40763 1/20 0.31
HTT P42858 1/20 0.31
KCNH2 Q12809 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FGB P02675 1/20 0.31
POLB P06746 1/20 0.31
GRK6 P43250 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
THRB P10828 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
SCHEMBL9505220 0.92 MAPT (0.32) MEN1KMT2AMAPTPKMSMN1; SMN2
SCHEMBL9505230 0.92 MAPT (0.32) MEN1KMT2AMAPTPKMSMN1; SMN2
SCHEMBL9501652 0.92 MAPT (0.32) MEN1KMT2AMAPTPKMSMN1; SMN2
SCHEMBL9501355 0.91 FFAR4 (0.32) MEN1KMT2AMAPTPKMSMN1; SMN2
SCHEMBL9505214 0.89 MEN1 (0.30) MEN1KMT2AMAPTPKMSMN1; SMN2
SCHEMBL9504225 0.85 P2RY4 (0.40) MEN1KMT2AMAPTPKMSMN1; SMN2
SCHEMBL9505289 0.84 MAPT (0.33) MEN1KMT2AMAPTPKMSMN1; SMN2
SCHEMBL9505294 0.84 MAPT (0.33) MEN1KMT2AMAPTPKMSMN1; SMN2
SCHEMBL9502254 0.83 P2RY4 (0.39) MEN1KMT2AMAPTPKMSMN1; SMN2
SCHEMBL9502251 0.83 P2RY4 (0.39) MEN1KMT2AMAPTPKMSMN1; SMN2

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