SCHEMBL11709372

SCHEMBL11709372

COc1ccc(/C=C/C(=O)NNC(=O)/C=C/c2ccc(C)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.76
THRB P10828 2/20 0.76
TP53 P04637 2/20 0.76
MAPT P10636 1/20 0.76
HDAC3 O15379 3/20 0.71
HDAC1 Q13547 3/20 0.71
HDAC2 Q92769 3/20 0.71
HDAC8 Q9BY41 3/20 0.71
HDAC6 Q9UBN7 2/20 0.71
MAOA P21397 1/20 0.68
MAOB P27338 1/20 0.68
HDAC4 P56524 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
GSK3B P49841 1/20 0.63
MMP1 P03956 1/20 0.62
MMP2 P08253 1/20 0.62

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
SCHEMBL11709382 1.00 SMN1; SMN2 (0.76) SMN1; SMN2THRBTP53MAPTHDAC3
SCHEMBL11707965 0.93 HDAC3 (0.80) SMN1; SMN2THRBTP53MAPTHDAC3
SCHEMBL11707977 0.93 HDAC3 (0.80) SMN1; SMN2THRBTP53MAPTHDAC3
SCHEMBL11705731 0.88 MMP1 (0.67) SMN1; SMN2THRBTP53MAPTHDAC1
SCHEMBL11705722 0.88 MMP1 (0.67) SMN1; SMN2THRBTP53MAPTHDAC1
SCHEMBL11707124 0.87 MMP1 (0.73) SMN1; SMN2THRBMAPTHDAC3HDAC1
SCHEMBL11707129 0.87 MMP1 (0.73) SMN1; SMN2THRBMAPTHDAC3HDAC1
SCHEMBL31528743 0.87 MMP1 (0.73) SMN1; SMN2THRBMAPTHDAC3HDAC1
SCHEMBL28550343 0.85 GSK3B (0.87) SMN1; SMN2THRBTP53MAPTHDAC3
SCHEMBL11999799 0.85 F3 (0.86) SMN1; SMN2THRBTP53MAPTHDAC3

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-4052362-A N-CINNAMOYL-N'-ACYLHYDRAZINES UBE INDUSTRIES, LTD. (JA) 1977-10-04 US disclosed