SCHEMBL11903667

SCHEMBL11903667

C=CC(=O)Cc1cccc(OC(N)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ACHE P22303 6/20 0.40
▸ CTBP2 P56545 1/20 0.38
▸ MAPK8 P45983 1/20 0.36
▸ PPARD Q03181 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35

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
SCHEMBL28499209 0.78 MEN1 (0.51) KMT2AMEN1
SCHEMBL907625 0.77 MTNR1A (0.41) KMT2AMEN1
SCHEMBL2723540 0.77 KMT2A (0.68) KMT2AMEN1ACHE
SCHEMBL27526614 0.77 KMT2A (0.68) KMT2AMEN1ACHE
SCHEMBL9314358 0.76 KMT2A (0.66) KMT2AMEN1ACHE
Hydrochloric Acid SCHEMBL29289837 0.76 KMT2A (0.66) KMT2AMEN1ACHE
SCHEMBL2721243 0.76 KMT2A (0.66) KMT2AMEN1ACHE
SCHEMBL2030255 0.75 THRB (0.49) KMT2AMEN1ACHE
SCHEMBL14889130 0.75 GRIN2D (0.46) —
SCHEMBL3830344 0.74 KMT2A (0.58) KMT2AMEN1ACHE

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
EP-2485595-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONIST AND AN ANTIMUSCARINIC AGENT Merck Sharp & Dohme Corp. (US) 2012-08-15 — — EP disclosed
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