SCHEMBL8672385

SCHEMBL8672385

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.70
FAAH O00519 2/20 0.55
TRPV1 Q8NER1 1/20 0.55
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
GAA P10253 2/20 0.49
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
KMT2A Q03164 4/20 0.46
PKM P14618 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL18703462 0.91 MGLL (0.78) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL19412173 0.88 MGLL (0.84) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL11668314 0.86 MGLL (0.86) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL14565135 0.86 MGLL (0.86) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL14617269 0.85 MGLL (0.84) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL18703464 0.85 MGLL (0.70) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL18712660 0.85 MGLL (0.70) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL27356020 0.85 MGLL (0.70) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL27183007 0.84 MGLL (0.68) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL15232603 0.82 MGLL (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750547-A Certain carbanate anti-cancer agents UNIVERSITE LAVAL (CA) 1998-05-12 US claimed
US-5750547-A Certain carbanate anti-cancer agents UNIVERSITE LAVAL (CA) 1998-05-12 US disclosed
US-5530026-A WITHOUT SYSTEMIC TOXICITY AND MUTAGENICITY UNIVERSITE LAVAL (CA) 1996-06-25 US disclosed
US-4883903-A FROM CHLOROETHYLAMINE, A HALOFORMATE; AND NITROSYL SULFURIC ACID SANOFI (FR) 1989-11-28 US disclosed
US-4472379-A ANTILEUKEMIA AGENTS SUAMI T (JP) 1984-09-18 US disclosed