SCHEMBL5079855

SCHEMBL5079855

CCOc1c(C)cccc1CN(C)C(=O)/C=C/c1cnc(N)c(CN2CCN(C)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
RET P07949 2/20 0.36
AOC3 Q16853 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL5079862 1.00 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1253883 0.99 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1253879 0.99 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5082669 0.91 ALDH1A1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5082666 0.91 ALDH1A1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1251911 0.90 ALDH1A1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1251907 0.90 ALDH1A1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5079091 0.84 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5079087 0.84 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1253080 0.84 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2

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-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP claimed