SCHEMBL9502437

SCHEMBL9502437

CCSc1cc(C(=O)OC2CCC3CCCCC3C2)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
MAPK1 P28482 3/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
THRB P10828 2/20 0.35
GRK6 P43250 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR3E A5X5Y0 5/20 0.33
HTR3B O95264 5/20 0.33
HTR3A P46098 5/20 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
SCHEMBL9503219 0.93 SOAT1 (0.34) MAPTMAPK1ATMMEN1KMT2A
SCHEMBL9503220 0.93 SOAT1 (0.34) MAPTMAPK1ATMMEN1KMT2A
SCHEMBL9501351 0.93 MAPT (0.35) MAPTMAPK1MEN1KMT2ATHRB
SCHEMBL9501347 0.93 MAPT (0.35) MAPTMAPK1MEN1KMT2ATHRB
SCHEMBL9504266 0.92 MAPT (0.34) MAPTMAPK1MEN1KMT2ATHRB
SCHEMBL9504263 0.92 MAPT (0.34) MAPTMAPK1MEN1KMT2ATHRB
SCHEMBL9501609 0.91 SOAT1 (0.36) MAPTMAPK1ATMMEN1KMT2A
SCHEMBL9501606 0.91 SOAT1 (0.36) MAPTMAPK1ATMMEN1KMT2A
SCHEMBL9503142 0.90 MAPT (0.37) MAPTMAPK1ATMMEN1KMT2A
SCHEMBL9503133 0.90 MAPT (0.37) MAPTMAPK1ATMMEN1KMT2A

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