SCHEMBL6847889

SCHEMBL6847889

OCC#Cc1ccc(-c2ccncc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.51
PRKCI P41743 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MELK Q14680 1/20 0.36
CYP2A6 P11509 3/20 0.35
DPP4 P27487 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL6879818 0.83 CYP2A6 (0.56) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL6854759 0.82 MAPK14 (0.38) MAPK14MELKCYP2A6DPP4CYP1A2
SCHEMBL6853750 0.80 MAPK14 (0.39) MAPK14MELKDPP4CYP2D6MAPT
SCHEMBL6854070 0.77 HDAC3 (0.41) PRKCIHDAC3HDAC4HDAC1HDAC7
SCHEMBL6854322 0.77 HDAC1 (0.41) MAPK14HDAC1MELKDPP4MAPT
SCHEMBL6847879 0.76 MELK (0.37) MAPK14MELKCYP2A6DPP4CYP1A2
SCHEMBL6869609 0.74 KDM4E (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6854124 0.73 HDAC3 (0.41) PRKCIHDAC3HDAC4HDAC1HDAC7
SCHEMBL6852047 0.73 MAPK14 (0.51) MAPK14PRKCIMELKCYP2A6CYP1A2
SCHEMBL8013270 0.73 DPP4 (0.51) MAPK14HDAC1DPP4MAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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