SCHEMBL6850800

SCHEMBL6850800

[CH2]C(c1ccc(-c2ccncc2)cc1)C(C=O)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
ERN1 O75460 1/20 0.38
CYP17A1 P05093 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
AKT1 P31749 7/20 0.35
NOTUM Q6P988 1/20 0.34
KIF11 P52732 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RPS6KA5 O75582 3/20 0.33
GSK3B P49841 3/20 0.33
PRKCD Q05655 3/20 0.33
PRKG2 Q13237 3/20 0.33
ROCK1 Q13464 3/20 0.33
PRKG1 Q13976 3/20 0.33

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
SCHEMBL6850925 0.78 HDAC4 (0.40) MAPTCYP19A1HDAC1PIM1HDAC4
SCHEMBL6850500 0.76 OPRD1 (0.41) LMNAERN1CYP19A1SMN1; SMN2MAPK1
SCHEMBL6850619 0.74 LTA4H (0.41) HDAC4
SCHEMBL7488096 0.72 CYP2D6 (0.39) LMNAMAPK1
SCHEMBL24871307 0.67 MAPT (0.61) MAPTLMNACYP17A1CYP3A4CYP19A1
SCHEMBL26923851 0.67 MAPT (0.61) MAPTLMNAERN1CYP17A1CYP3A4
SCHEMBL6853889 0.66 OGA (0.35) MAPTSMN1; SMN2DYRK1ADYRK1B
SCHEMBL10000032 0.66 MAPT (0.92) MAPTLMNACYP3A4NOTUMKIF11
SCHEMBL135626 0.66 MAPT (0.92) MAPTLMNACYP3A4NOTUMKIF11
Formic Acid SCHEMBL16673124 0.64 MAPT (0.65) MAPTLMNAERN1NOTUMKIF11

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
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