SCHEMBL9504225

SCHEMBL9504225

Cc1ccc(CCNc2cc(C(=O)OC3CCC4CC(Br)CCC4C3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY4 P51582 6/20 0.40
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
CDK2 P24941 1/20 0.34
P2RY2 P41231 2/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 5/20 0.31
MEN1 O00255 4/20 0.31
PKM P14618 2/20 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

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
SCHEMBL9502254 0.92 P2RY4 (0.39) P2RY4CDK2P2RY2MAPTALDH1A1
SCHEMBL9502251 0.92 P2RY4 (0.39) P2RY4CDK2P2RY2MAPTALDH1A1
SCHEMBL9502427 0.89 P2RY4 (0.39) P2RY4NPC1MTORRAB9ASIRT2
SCHEMBL9504344 0.89 P2RY4 (0.39) P2RY4NPC1MTORRAB9ASIRT2
SCHEMBL9501438 0.85 MEN1 (0.31) NPC1RAB9AMAPTALDH1A1NPSR1
SCHEMBL9501758 0.84 P2RY4 (0.40) P2RY4CDK2P2RY2MAPTALDH1A1
SCHEMBL9501751 0.84 P2RY4 (0.40) P2RY4CDK2P2RY2MAPTALDH1A1
SCHEMBL9505230 0.83 MAPT (0.32) NPC1MAPTALDH1A1NPSR1TDP1
SCHEMBL9505220 0.83 MAPT (0.32) NPC1MAPTALDH1A1NPSR1TDP1
SCHEMBL9505286 0.83 P2RY4 (0.39) P2RY4NPC1MTORRAB9ASIRT2

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