SCHEMBL6923840

SCHEMBL6923840

O=C(NCCn1cccn1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.59
FAAH O00519 3/20 0.51
TRPV1 Q8NER1 1/20 0.51
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.41
RAB9A P51151 2/20 0.40
ACHE P22303 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6920000 0.84 MGLL (0.41) MGLLFAAHTRPV1MAPTTHRB
SCHEMBL6831063 0.83 RAB9A (0.45) MGLLMAPTTHRBRAB9AGAA
SCHEMBL10804064 0.80 HTR2A (0.45) MGLLBCL9CTNNB1MAPTTHRB
SCHEMBL18703462 0.79 MGLL (0.78) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL14617269 0.77 MGLL (0.84) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL19412173 0.77 MGLL (0.84) MGLLFAAHTRPV1BCL9CTNNB1
4-Nitrophenyl Ethylcarbamate SCHEMBL1695035 0.77 MGLL (0.74) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL6646143 0.76 LTA4H (0.51) MAPT
SCHEMBL6645341 0.76 MAPT (0.54) MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL13828046 0.76 MGLL (0.61) MGLLFAAHTRPV1BCL9CTNNB1

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-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed