SCHEMBL28671968

SCHEMBL28671968

NC(=O)CCCc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
KDM1A O60341 1/20 0.52
HDAC1 Q13547 8/20 0.52
HDAC8 Q9BY41 5/20 0.52
HDAC3 O15379 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC5 Q9UQL6 4/20 0.52
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL5801699 0.91 MAPT (0.55) MAPTGAAGFERSIRT2HDAC1
SCHEMBL5020709 0.83 HDAC1 (0.67) MAPTHDAC1HDAC8HDAC3HDAC2
SCHEMBL7859 0.83 HDAC1 (0.72) MAPTHDAC1HDAC8HDAC3HDAC2
Hydrochloric Acid SCHEMBL23062929 0.81 HDAC1 (0.69) MAPTHDAC1HDAC8HDAC3HDAC2
Hydrochloric Acid SCHEMBL30882658 0.81 HDAC1 (0.69) MAPTHDAC1HDAC8HDAC3HDAC2
Hydrochloric Acid SCHEMBL30882401 0.81 HDAC1 (0.69) MAPTHDAC1HDAC8HDAC3HDAC2
Water SCHEMBL28210512 0.81 HDAC1 (0.69) MAPTHDAC1HDAC8HDAC3HDAC2
SCHEMBL11262500 0.80 FFAR1 (0.63) GAAHDAC1HDAC8HDAC3HDAC2
SCHEMBL27463865 0.80 MAPT (0.58) MAPTGAAGFERSIRT2MAPK1
SCHEMBL9425104 0.80 FFAR1 (0.69) MAPTFFAR1HTT

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
CN-113861086-A Synthesis method of sulfur-containing gamma, gamma-diarylamine butyrylamide compound 温州大学 2021-12-31 CN disclosed