SCHEMBL7322385

SCHEMBL7322385

COc1ccc(-c2ccsc2C2(OC(C)[C@H](N)C(=O)O)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
KIF11 P52732 2/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
PDK2 Q15119 1/20 0.34
APP P05067 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.33
AR P10275 1/20 0.33
BACE1 P56817 1/20 0.33
TP53 P04637 1/20 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
SCHEMBL7322395 1.00 HDAC4 (0.37) HDAC4HDAC2HDAC8FGFR1SRC
SCHEMBL7320630 0.92 BCAT2 (0.37) KIF11PDK2CYP2C19MEN1KMT2A
SCHEMBL7320627 0.92 BCAT2 (0.37) KIF11PDK2CYP2C19MEN1KMT2A
SCHEMBL7311653 0.89 KIF11 (0.38) KIF11PDK2CYP2C19MEN1KMT2A
SCHEMBL7311644 0.89 KIF11 (0.38) KIF11PDK2CYP2C19MEN1KMT2A
SCHEMBL7317072 0.84 KIF11 (0.38) KIF11PDK2CYP2C19MEN1KMT2A
SCHEMBL7317067 0.84 KIF11 (0.38) KIF11PDK2CYP2C19MEN1KMT2A
SCHEMBL7323361 0.82 KIF11 (0.34) KIF11PDK2CYP2C19MEN1KMT2A
SCHEMBL7323367 0.82 KIF11 (0.34) KIF11PDK2CYP2C19MEN1KMT2A
SCHEMBL7316108 0.82 KIF11 (0.45) KIF11PDK2KMT2ANPC1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 US disclosed