SCHEMBL8059481

SCHEMBL8059481

O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.81
▸ KMT2A Q03164 3/20 0.81
▸ LMNA P02545 2/20 0.81
▸ MAPT P10636 2/20 0.81
▸ PKM P14618 2/20 0.81
▸ HSP90AA1 P07900 1/20 0.81
▸ NPSR1 Q6W5P4 1/20 0.81
▸ MAOB P27338 3/20 0.74
▸ HTT P42858 2/20 0.67
▸ THRB P10828 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ LTB4R Q15722 1/20 0.62
▸ CA12 O43570 3/20 0.61
▸ CA9 Q16790 3/20 0.61
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.59

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
SCHEMBL8059485 1.00 MEN1 (0.81) MEN1KMT2ALMNAMAPTPKM
SCHEMBL8065911 0.89 MAOB (0.73) MEN1KMT2ALMNAMAPTPKM
SCHEMBL8065912 0.89 MAOB (0.73) MEN1KMT2ALMNAMAPTPKM
SCHEMBL8049033 0.84 LTB4R (0.84) MEN1KMT2ALMNAMAPTMAOB
SCHEMBL8049032 0.84 LTB4R (0.84) MEN1KMT2ALMNAMAPTMAOB
SCHEMBL22441789 0.84 MEN1 (0.60) MEN1KMT2ALMNAMAPTPKM
SCHEMBL22441791 0.84 MEN1 (0.60) MEN1KMT2ALMNAMAPTPKM
SCHEMBL8065891 0.84 MMP1 (0.73) MEN1KMT2AMAPTMAOBLTB4R
SCHEMBL8065890 0.84 MMP1 (0.73) MEN1KMT2AMAPTMAOBLTB4R
SCHEMBL10760480 0.82 MEN1 (0.72) MEN1KMT2ALMNAMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 — — US disclosed
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 — — EP disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 — — US disclosed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 — — WO disclosed
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