SCHEMBL8897237

SCHEMBL8897237

N=C(CO)Cc1ccc[n+]([O-])c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 17/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8897676 0.77 CYP3A4 (0.34)
Mepiroxol SCHEMBL904581 0.77
SCHEMBL317674 0.74
SCHEMBL6179185 0.74 AKR1B1 (0.54) GPR84MEN1KMT2AL3MBTL1
SCHEMBL1089058 0.72
SCHEMBL10607972 0.72 CES1 (0.48) MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL11427969 0.71 GPR84 (0.53) GPR84
SCHEMBL8895792 0.70 GPR84 (0.35) GPR84
SCHEMBL8898757 0.70
SCHEMBL8898444 0.70 L3MBTL1 (0.42) GPR84L3MBTL1

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
US-5627136-A HERBICIDES, ANTIGROWTH REGULATORS AND PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed