SCHEMBL7586241

SCHEMBL7586241

N=C(c1cc2cccc(N)c2o1)N(O)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CHRNA7 P36544 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CBR1 P16152 1/20 0.33
AKR1C3 P42330 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
ALDH1A1 P00352 1/20 0.31
IDO1 P14902 2/20 0.31
WDR5 P61964 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 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
SCHEMBL7585802 0.82 LMNA (0.51) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6086523 0.81 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6086196 0.79 KCNQ2 (0.42) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7582051 0.79 GPR35 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6777820 0.78 KEAP1 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7591071 0.74 MAOB (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7586299 0.72 GPR35 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7588263 0.72 POLB (0.53) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7588083 0.71 BCAT1 (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5867078 0.69 CBR1 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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