SCHEMBL6086523

SCHEMBL6086523

N=C(c1cc2cc(Cl)ccc2o1)N(O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALOX5 P09917 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
BCAT1 P54687 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 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
SCHEMBL7588083 0.90 BCAT1 (0.45) NPC1RAB9AALOX5HRH4BCAT1
SCHEMBL7591071 0.87 MAOB (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7588263 0.85 POLB (0.53) NPC1RAB9AMAOBATMALDH1A1
SCHEMBL7586241 0.81 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7585802 0.75 LMNA (0.51) NPC1RAB9AKDM4EHDAC1HDAC2
SCHEMBL7588230 0.74 FLT3 (0.50) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL7582051 0.73 GPR35 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6086196 0.73 KCNQ2 (0.42) NPC1RAB9AKDM4EMAOBATM
SCHEMBL6777820 0.71 KEAP1 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7587322 0.71 BCAT1 (0.48) NPC1RAB9ABCAT1KDM4EMAOB

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-7148259-B1 Antibacterial agents AMGEN INC. (US) 2006-12-12 US disclosed
EP-1246795-A2 ANTIBACTERIAL AGENTS Tularik Inc. (US) 2002-10-09 EP disclosed
WO-2001051456-A2 ANTIBACTERIAL AGENTS TULARIK INC. (US) 2001-07-19 WO disclosed