SCHEMBL28673229

SCHEMBL28673229

NC(=O)CCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.60
FFAR1 O14842 1/20 0.60
HDAC3 O15379 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MGAM O43451 7/20 0.55
GAA P10253 7/20 0.55
SI P14410 7/20 0.55
MGAM2 Q2M2H8 7/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.51

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
SCHEMBL1307547 0.88 HDAC3 (0.67) GPR84FFAR1HDAC3HDAC1HDAC2
SCHEMBL1307101 0.82 HDAC1 (0.81) GPR84FFAR1HDAC3HDAC1HDAC2
SCHEMBL1306354 0.82 HDAC3 (0.67) GPR84FFAR1HDAC3HDAC1HDAC2
SCHEMBL23292956 0.81 MGAM (0.64) GPR84FFAR1HDAC3HDAC1HDAC2
SCHEMBL1307627 0.81 HDAC3 (0.74) GPR84FFAR1HDAC3HDAC1HDAC2
SCHEMBL30513843 0.80 MPO (0.65) GPR84KMT2ASLC6A4HTR2AHTR2C
SCHEMBL1305729 0.79 HDAC3 (0.76) GPR84FFAR1HDAC3HDAC1HDAC2
SCHEMBL1308378 0.79 HDAC3 (0.76) GPR84FFAR1HDAC3HDAC1HDAC2
SCHEMBL1306793 0.78 HDAC3 (0.56) GPR84FFAR1HDAC3HDAC1HDAC2
SCHEMBL1305744 0.77 HDAC1 (0.90) GPR84FFAR1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943244-B Sulfur-containing gamma, gamma-diindolylbutyramide compounds prepared by difunctional reactions 温州大学 2023-05-23 CN claimed
CN-113943244-A Sulfur-containing gamma, gamma-diindolyl butyramide compound prepared by double-functionalization reaction 温州大学 2022-01-18 CN claimed
CN-113943244-B Sulfur-containing gamma, gamma-diindolylbutyramide compounds prepared by difunctional reactions 温州大学 2023-05-23 CN disclosed
CN-113943244-B Sulfur-containing gamma, gamma-diindolylbutyramide compounds prepared by difunctional reactions 温州大学 2023-05-23 CN disclosed
CN-113943244-B Sulfur-containing gamma, gamma-diindolylbutyramide compounds prepared by difunctional reactions 温州大学 2023-05-23 CN disclosed
CN-113943244-A Sulfur-containing gamma, gamma-diindolyl butyramide compound prepared by double-functionalization reaction 温州大学 2022-01-18 CN disclosed
CN-113943244-A Sulfur-containing gamma, gamma-diindolyl butyramide compound prepared by double-functionalization reaction 温州大学 2022-01-18 CN disclosed
CN-113943244-A Sulfur-containing gamma, gamma-diindolyl butyramide compound prepared by double-functionalization reaction 温州大学 2022-01-18 CN disclosed