SCHEMBL6852476

SCHEMBL6852476

[CH2]/C=C(\F)c1ccc(-c2ccccn2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
HDAC1 Q13547 3/20 0.55
HDAC4 P56524 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
MAPT P10636 5/20 0.55
GLA P06280 2/20 0.55
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
LMNA P02545 2/20 0.41

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
SCHEMBL6852483 1.00 KDM4E (0.58) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL6854177 0.84 HDAC1 (0.53) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL6854173 0.84 HDAC1 (0.53) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL6878902 0.82 KDM4E (0.55) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL6878905 0.82 KDM4E (0.55) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL6878906 0.82 KDM4E (0.55) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL6852337 0.80 KDM4E (0.36) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL6852263 0.80 KDM4E (0.36) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL6852347 0.80 KDM4E (0.36) KDM4EHDAC1HDAC4HDAC6HDAC3
SCHEMBL6852261 0.80 KDM4E (0.36) KDM4EHDAC1HDAC4HDAC6HDAC3

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