SCHEMBL6921608

SCHEMBL6921608

N#Cc1ccc(NC(=O)c2noc3ccc([N+](=O)[O-])cc23)c(-c2noc(=O)[nH]2)c1.NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
PARP1 P09874 2/20 0.32
ACHE P22303 1/20 0.32
MAOB P27338 2/20 0.32
F12 P00748 1/20 0.32
DRD3 P35462 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL6707767 0.89 HIF1A (0.42) HIF1ANPC1RAB9ALMNACYP1A2
SCHEMBL6710284 0.80 NPC1 (0.46) NPC1RAB9ALMNADRD3ALDH1A1
SCHEMBL6714271 0.79 HIF1A (0.48) HIF1A
SCHEMBL6711761 0.78 HIF1A (0.34) HIF1AMAPT
SCHEMBL6710262 0.78 HIF1A (0.42) HIF1ANPC1RAB9ALMNACYP1A2
SCHEMBL6713809 0.77 HIF1A (0.43) HIF1A
SCHEMBL6710550 0.77 HIF1A (0.44) HIF1ANPC1RAB9ALMNACYP1A2
SCHEMBL6708868 0.77 HIF1A (0.44) HIF1ANPC1RAB9ALMNACYP1A2
SCHEMBL6709076 0.77 LMNA (0.35) HIF1ALMNACYP1A2MAPTMEN1
SCHEMBL6713406 0.77 NPC1 (0.41) NPC1RAB9ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed