SCHEMBL1026432

SCHEMBL1026432

CCNCCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1cc(-c2noc(C(F)F)n2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.39
AHCY P23526 1/20 0.34
NAMPT P43490 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NPY2R P49146 2/20 0.32
KCNT1 Q5JUK3 4/20 0.32
NR1H4 Q96RI1 2/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 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
Hydrochloric Acid SCHEMBL1025721 0.99 HDAC4 (0.39) HDAC4AHCYNAMPTTP53MAPT
Hydrochloric Acid SCHEMBL1027066 0.94 HDAC4 (0.39) HDAC4AHCYNAMPTNPY2RKCNT1
Hydrochloric Acid SCHEMBL1026270 0.92 HDAC4 (0.37) HDAC4TP53MAPTKCNT1
Hydrochloric Acid SCHEMBL1026411 0.87 HDAC4 (0.37) HDAC4KCNT1
SCHEMBL1026274 0.86 HDAC4 (0.35) HDAC4AHCYNAMPTTP53MAPT
SCHEMBL1197482 0.84 AHCY (0.35) AHCYNAMPTTP53MAPTHPGD
SCHEMBL11975774 0.83 AHCY (0.50) HDAC4AHCYNAMPTNPY2RTSHR
Hydrochloric Acid SCHEMBL1024812 0.82 AHCY (0.39) AHCYNAMPTTP53MAPT
SCHEMBL1196620 0.80 HDAC4 (0.34) HDAC4TP53MAPTNPY2RKCNT1
SCHEMBL1026993 0.80 AHCY (0.39) AHCYNAMPTTP53

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
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed