SCHEMBL28753288

SCHEMBL28753288

C=C(C(=O)OC)c1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ BRAF P15056 3/20 0.47
▸ MAPT P10636 6/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 0.43
▸ TUBA1B P68363 2/20 0.43
▸ TUBA4A P68366 2/20 0.43
▸ TUBB4B P68371 2/20 0.43
▸ TUBB3 Q13509 2/20 0.43
▸ TUBB2A Q13885 2/20 0.43
▸ TUBB8 Q3ZCM7 2/20 0.43

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
SCHEMBL29002168 0.81 MEN1 (0.50) MEN1KMT2AMAPTABCB1TUBB4A
SCHEMBL5057415 0.76 ALDH1A1 (0.46) MAPTATMALDH1A1
SCHEMBL9066195 0.73 CYP1A2 (0.61) MEN1KMT2AMAPTATMSMN1; SMN2
SCHEMBL17948239 0.73 MEN1 (0.71) MEN1KMT2ABRAFMAPTNPC1
SCHEMBL3631829 0.72 BRAF (0.70) MEN1KMT2ABRAFSMN1; SMN2TUBB4A
SCHEMBL4910445 0.71 CA1 (0.59) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL5841124 0.71 BRAF (0.69) MEN1KMT2ABRAFMAPTATM
SCHEMBL8346193 0.70 ABCG2 (0.57) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL11468589 0.70 KDM4E (0.44) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL26956146 0.70 ALDH1A1 (0.47) MEN1KMT2AMAPTABCB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1578663-B Histone deacetylase inhibitors METHYLGENE INC 2011-05-25 — — CN disclosed
CN-1578663-A Histone deacetylase inhibitors METHYLGENE INC (CA) 2005-02-09 — — CN disclosed
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