SCHEMBL5676002

SCHEMBL5676002

CN=C(N)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.47
NPC1 O15118 4/20 0.44
RXFP1 Q9HBX9 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 4/20 0.43
PYGL P06737 3/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NHERF1 O14745 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRNP P04156 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL5675986 0.83 HDAC2 (0.47) HDAC2NPC1RXFP1RAB9AKDM4E
SCHEMBL5896865 0.82 LEF1 (0.54) HDAC2NPC1RXFP1RAB9AKDM4E
SCHEMBL19453004 0.81 ALDH1A1 (0.52) HDAC2NPC1RXFP1RAB9AKDM4E
SCHEMBL5897014 0.79 TP53 (0.48) HDAC2NPC1RXFP1RAB9AKDM4E
SCHEMBL5676237 0.79 TP53 (0.52) NPC1RXFP1RAB9AKDM4EPYGL
SCHEMBL5897662 0.78 NHERF1 (0.56) NPC1RXFP1RAB9AKDM4EPYGL
SCHEMBL6617197 0.78 LEF1 (0.58) NPC1RXFP1RAB9AKDM4EPYGL
SCHEMBL1415238 0.77 KDM4E (0.61) HDAC2NPC1RAB9AKDM4EPYGL
SCHEMBL5897347 0.76 ITGB3 (0.54) HDAC2NHERF1ITGB3ITGA2BHRAS
SCHEMBL5889839 0.75 HDAC2 (0.56) HDAC2NPC1RXFP1RAB9AKDM4E

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
EP-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 EP disclosed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 EP disclosed
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 WO disclosed