SCHEMBL6851865

SCHEMBL6851865

[CH2]C#Cc1ccc(-c2cccnn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
DHODH Q02127 1/20 0.38
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GRM5 P41594 2/20 0.34
EP300 Q09472 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
WNT3A P56704 5/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL6277380 0.81 HDAC4 (0.40) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL6852198 0.78 HDAC4 (0.39) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL6876005 0.78 HDAC4 (0.39) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL2551622 0.78 HDAC4 (0.43) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL6847888 0.76 CYP1A2 (0.47) DHODHGRM5
SCHEMBL6850679 0.75 HDAC4 (0.43) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL13458062 0.72 GABRA1 (0.52) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL29959678 0.72 RAB9A (0.50) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL121970 0.72 RAB9A (0.50) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL6852799 0.71 NPC1 (0.33) GRM5EP300SLC6A2SLC6A4SLC6A3

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