SCHEMBL6852098

SCHEMBL6852098

[CH2]C#Cc1csc(-c2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
GLA P06280 1/20 0.46
LMNA P02545 4/20 0.39
CCR1 P32246 3/20 0.39
CCR5 P51681 3/20 0.39
CCR8 P51685 3/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
GRM5 P41594 3/20 0.38
CYP19A1 P11511 1/20 0.37
PDE10A Q9Y233 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36

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
SCHEMBL29871158 0.81 GRM5 (0.51) KDM4EMAPTRAB9ANPC1GLA
SCHEMBL6854221 0.81 KDM4E (0.42) KDM4EMAPTRAB9ANPC1GLA
SCHEMBL6852598 0.81 KDM4E (0.42) KDM4EMAPTRAB9ANPC1GLA
SCHEMBL4470259 0.73 KDM4E (0.55) KDM4EMAPTRAB9ANPC1GLA
SCHEMBL3902476 0.72 KDM4E (0.60) KDM4EMAPTRAB9ANPC1GLA
SCHEMBL6852612 0.72 DYRK1A (0.58) CYP1A2GRM5CYP19A1ALDH1A1
SCHEMBL6854261 0.72 GRM5 (0.40) KDM4EMAPTRAB9ANPC1GLA
SCHEMBL6847888 0.71 CYP1A2 (0.47) KDM4EMAPTRAB9ANPC1GLA
SCHEMBL16900278 0.71 KDM4E (0.53) KDM4EMAPTRAB9ANPC1GLA
SCHEMBL752932 0.70 RAB9A (0.52) KDM4EMAPTRAB9ANPC1GLA

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