SCHEMBL7016251

SCHEMBL7016251

C=CCOC(=O)Nc1c[c]cc(OC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.36
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 1/20 0.36
▸ TUBB2A Q13885 1/20 0.36
▸ TUBB8 Q3ZCM7 1/20 0.36
▸ TUBA3E Q6PEY2 1/20 0.36
▸ TUBA1A Q71U36 1/20 0.36
▸ TUBA1C Q9BQE3 1/20 0.36
▸ TUBB6 Q9BUF5 1/20 0.36
▸ TUBB2B Q9BVA1 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
SCHEMBL7013922 0.87 KMT2A (0.43) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL7017831 0.86 NPC1 (0.48) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL7015116 0.84 MEN1 (0.40) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL7011324 0.83 MEN1 (0.42) KMT2AMEN1ALDH1A1TUBB4ATUBB
SCHEMBL7012969 0.81 MEN1 (0.45) KMT2AMEN1ALDH1A1LMNATUBB4A
SCHEMBL7018535 0.81 MEN1 (0.40) KMT2AMEN1ALDH1A1LMNATUBB4A
SCHEMBL7018270 0.80 MEN1 (0.40) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL7011472 0.80 MEN1 (0.56) KMT2AMEN1ALDH1A1TUBB4ATUBB
SCHEMBL7014110 0.79 MEN1 (0.43) KMT2AMEN1ALDH1A1LMNATUBB4A
SCHEMBL7017825 0.79 MEN1 (0.45) KMT2AMEN1ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 — — EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 — — US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 — — EP disclosed
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