SCHEMBL6851952

SCHEMBL6851952

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.38
HDAC3 O15379 3/20 0.38
HDAC7 Q8WUI4 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
HDAC1 Q13547 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6875928 0.81 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6226582 0.79 CLK4 (0.44) HDAC4NPC1RAB9AMEN1KMT2A
SCHEMBL6850537 0.77 ALDH1A1 (0.40) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL6854034 0.77 RARB (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6850530 0.77 ALDH1A1 (0.40) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL1034146 0.77 ALDH1A1 (0.41) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL27612733 0.75 HDAC4 (0.37) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL6852444 0.73 NPC1 (0.54) NPC1RAB9ASMN1; SMN2CYP11B1HPGDS
SCHEMBL27594251 0.73 HDAC4 (0.38) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL74266 0.73 NFE2L2 (0.56) NFE2L2TNFRSF1A

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 4 patents. 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
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed