SCHEMBL6851789

SCHEMBL6851789

[CH2]/C=C/c1cc(-c2ccccn2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
LMNA P02545 4/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP19A1 P11511 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL6874913 0.81 CYP2A6 (0.40) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6851955 0.81 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6874919 0.81 CYP2A6 (0.40) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6193707 0.80 CYP2A6 (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6852128 0.80 CYP19A1 (0.32) CYP2A6CYP19A1
SCHEMBL6852722 0.78 RAB9A (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6156977 0.73 KDM4E (0.60) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6156973 0.73 KDM4E (0.60) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6851064 0.73 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6854390 0.73 KDM4E (0.37) KDM4ELMNACCR1CCR5CCR8

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