SCHEMBL6852324

SCHEMBL6852324

COc1ccc(-c2ccc(C#CC=O)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
MAPT P10636 6/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.39
PPARG P37231 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 1/20 0.33
ACACB O00763 1/20 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
SCHEMBL6851784 0.81 ACACB (0.32) LMNANPC1RAB9ASMN1; SMN2P2RX7
SCHEMBL6852267 0.80 LMNA (0.43) LMNAMAPTNPC1RAB9APOLB
SCHEMBL28420312 0.76 GRM5 (0.51) MAPTMEN1KMT2AKDM4EACACB
SCHEMBL12824474 0.76 LMNA (0.44) LMNAMAPTNPC1RAB9APOLB
SCHEMBL7230008 0.76 LMNA (0.48) LMNAMAPTNPC1RAB9APOLB
SCHEMBL6852660 0.72 NPC1 (0.38) MAPTNPC1POLBMEN1KMT2A
SCHEMBL6852198 0.72 HDAC4 (0.39)
SCHEMBL12003516 0.71 APP (0.53) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL29703893 0.71 MAPT (0.62) LMNAMAPTNPC1RAB9APOLB
SCHEMBL13140612 0.71 MAPT (0.49) LMNAMAPTNPC1RAB9APOLB

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