SCHEMBL6854007

SCHEMBL6854007

OC/C(F)=C/c1csc(-c2ccccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
MAPT P10636 3/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 3/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
METAP1 P53582 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 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
SCHEMBL6854014 1.00 KDM4E (0.40) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6854011 1.00 KDM4E (0.40) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6851817 0.83 KDM4E (0.42) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6851822 0.83 KDM4E (0.42) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6851987 0.83
SCHEMBL6851982 0.83
SCHEMBL6853898 0.81 HDAC1 (0.32) KDM4ECYP1A2HDAC1HDAC8HDAC6
SCHEMBL6853894 0.81 HDAC1 (0.32) KDM4ECYP1A2HDAC1HDAC8HDAC6
SCHEMBL6853906 0.81 HDAC1 (0.32) KDM4ECYP1A2HDAC1HDAC8HDAC6
SCHEMBL6853984 0.79 KDM4E (0.43) KDM4ERAB9ANPC1MAPTGLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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