SCHEMBL6851784

SCHEMBL6851784

Cc1ccc(-c2ccc(C#CC=O)cc2)nn1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.32
GRM5 P41594 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
P2RX7 Q99572 2/20 0.30
EP300 Q09472 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
APLNR P35414 1/20 0.30

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
SCHEMBL6852324 0.81 LMNA (0.43) ACACBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL6852799 0.78 NPC1 (0.33) ACACBGRM5NPC1LMNANFKB1
SCHEMBL17051575 0.76 NPC1 (0.44) NPC1LMNANFKB1RAB9ANFKB2
SCHEMBL6852567 0.74 MMP2 (0.36) ACACBGRM5NPC1LMNANFKB1
SCHEMBL6852198 0.74 HDAC4 (0.39) GRM5EP300
SCHEMBL6676853 0.74 GAA (0.50) EP300
SCHEMBL6847795 0.71 KEAP1 (0.50) EP300
SCHEMBL728587 0.70 CA12 (0.45) ACACBGRM5NPC1LMNASMN1; SMN2
SCHEMBL10000239 0.70 NPC1 (0.53) NPC1LMNANFKB1RAB9ANFKB2
SCHEMBL17051572 0.69 NPC1 (0.52) NPC1LMNANFKB1RAB9ANFKB2

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