SCHEMBL6852598

SCHEMBL6852598

O=CC#Cc1csc(-c2ccccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 4/20 0.36
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
DOHH Q9BU89 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
GRM5 P41594 3/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 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
SCHEMBL6852098 0.81 KDM4E (0.46) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL29871158 0.77 GRM5 (0.51) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6854221 0.77 KDM4E (0.42) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6851761 0.75 KDM4E (0.55) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6851937 0.74 CYP2A6 (0.38) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6850738 0.74 DYRK1A (0.54) NPC1RAB9ACYP1A2GRM5CYP19A1
SCHEMBL6851830 0.74 KDM4E (0.48) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6852214 0.74 CYP1A2 (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4470259 0.70 KDM4E (0.55) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6877273 0.70 KDM4E (0.43) KDM4EMAPTNPC1RAB9AGLA

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