SCHEMBL27612733

SCHEMBL27612733

[CH2]/C(F)=C/c1ccc(-c2ncc(F)cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
NCOR2 Q9Y618 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6850718 0.82 CLK4 (0.40) HDAC4MEN1KMT2ANPC1RAB9A
SCHEMBL6850715 0.82 CLK4 (0.40) HDAC4MEN1KMT2ANPC1RAB9A
SCHEMBL6881060 0.80 HDAC4 (0.35) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL6881056 0.80 HDAC4 (0.35) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL6854217 0.80 HDAC4 (0.35) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL6852124 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6852121 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6851952 0.75 HDAC4 (0.38) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL1034146 0.74 ALDH1A1 (0.41) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL27594251 0.74 HDAC4 (0.38) HDAC4HDAC3HDAC1HDAC7HDAC8

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
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed