SCHEMBL6851863

SCHEMBL6851863

O=CCc1ccc(-c2ncc(F)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
ADRB2 P07550 1/20 0.36
CYP3A4 P08684 1/20 0.36
RAB9A P51151 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 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
SCHEMBL6851001 0.80 RAB9A (0.44) ADRB2RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3822972 0.79 NPC1 (0.46) CYP3A4RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6853976 0.79 ADRB2 (0.59) HDAC4ADRB2CYP3A4KMT2AALDH1A1
SCHEMBL1034146 0.77 ALDH1A1 (0.41) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL16317115 0.77 TP53 (0.46) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL3387425 0.77 HDAC4 (0.38) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL3011039 0.77 HDAC4 (0.41) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL3387483 0.77 FYN (0.44) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL17423600 0.76 MAOB (0.48) KDM4EALDH1A1
SCHEMBL483726 0.74 CYP2A6 (0.44) CYP3A4MAPT

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