SCHEMBL9505294

SCHEMBL9505294

Cc1ccc(CSc2cc(C(=O)O[C@@H]3CC[C@@H]4CCCCC4C3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.33
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
PKM P14618 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
STAT3 P40763 1/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 4/20 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
SCHEMBL9505289 1.00 MAPT (0.33) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9503047 0.93 MEN1 (0.36) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9503054 0.93 MEN1 (0.36) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9501652 0.92 MAPT (0.32) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9505220 0.92 MAPT (0.32) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9505230 0.92 MAPT (0.32) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9505187 0.91 MAPT (0.32) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9505190 0.91 MAPT (0.32) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9503193 0.89 HTR3E (0.32) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9503196 0.89 HTR3E (0.32) MAPTALDH1A1SMN1; SMN2KMT2AMEN1

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