SCHEMBL6878617

SCHEMBL6878617

[CH2]Cc1ccc(-n2ccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
ENPP2 Q13822 1/20 0.58
MKNK1 Q9BUB5 1/20 0.58
MKNK2 Q9HBH9 1/20 0.58
NOTUM Q6P988 1/20 0.58
CYP3A4 P08684 5/20 0.57
MEN1 O00255 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
TBXAS1 P24557 2/20 0.54
CYP2D6 P10635 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP19A1 P11511 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
BAZ2B Q9UIF8 1/20 0.50
CYP51A1 Q16850 1/20 0.49
ADH5 P11766 1/20 0.47

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
SCHEMBL27943949 0.85 TBXAS1 (0.59) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL21791731 0.84 LMNA (0.62) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL2532397 0.83 LMNA (0.78) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL676457 0.82 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
Hydrochloric Acid SCHEMBL28701756 0.81 LMNA (0.75) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL857216 0.81 ENPP2 (0.63) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL22486535 0.81 LMNA (0.58) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL255498 0.81 MAOB (0.62) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL2460217 0.81 NOTUM (0.63) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL1011668 0.81 LMNA (0.63) LMNAMAPTENPP2MKNK1MKNK2

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 2 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