SCHEMBL6827675

SCHEMBL6827675

Brc1ccc(-c2ccncn2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.40
MAPT P10636 6/20 0.40
RAB9A P51151 6/20 0.40
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
RXFP1 Q9HBX9 3/20 0.40
HSD17B10 Q99714 2/20 0.40
PPARG P37231 2/20 0.40
NCOA2 Q15596 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
NCOA1 Q15788 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALOX12 P18054 2/20 0.38

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
SCHEMBL4008739 0.83 MAPT (0.48) HSP90AA1MAPTRAB9AKDM4ENPC1
SCHEMBL18331590 0.78 HSP90AA1 (0.41) HSP90AA1MAPTRAB9AKDM4ENPC1
SCHEMBL27732186 0.75 MAPT (0.40) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL753210 0.73 KDM4E (0.72) HSP90AA1MAPTRAB9AKDM4ENPC1
SCHEMBL9101993 0.72 HDAC3 (0.52) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL2814353 0.72 HSP90AA1 (0.52) HSP90AA1MAPTKDM4ELMNAPOLB
SCHEMBL30595872 0.72 HSP90AA1 (0.52) HSP90AA1MAPTKDM4ELMNAPOLB
SCHEMBL7857587 0.72 RAB9A (0.40) HSP90AA1MAPTRAB9AKDM4ENPC1
SCHEMBL11889639 0.71 KDM4E (0.63) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL13910999 0.70 HSP90AA1 (0.50) HSP90AA1MAPTMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161438-B1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LAB (US) 2004-05-06 EP disclosed
CN-1343215-A 6-O-substituted macrolides with antibacterial activity ABBOTT LAB (US) 2002-04-03 CN disclosed
EP-1161438-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2001-12-12 EP disclosed
WO-2000055168-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2000-09-21 WO disclosed
US-6054435-A 6-O-substituted macrolides having antibacterial activity ABBOTT LABORATORIES (US) 2000-04-25 US disclosed