SCHEMBL24914949

SCHEMBL24914949

C#CCN(C(=O)c1ccc(F)cc1)c1cccc(C(=O)Nc2c(Br)cc(C(P)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CTSS P25774 1/20 0.30

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
SCHEMBL24914849 0.92 POLQ (0.34) POLQHDAC8SMN1; SMN2HDAC1HDAC6
SCHEMBL24914562 0.90 POLQ (0.31) POLQHDAC8
SCHEMBL24914497 0.87 POLQ (0.38) POLQHDAC8SMN1; SMN2CTSS
SCHEMBL24914487 0.83 POLQ (0.34) POLQHDAC8CTSS
SCHEMBL24914656 0.82 POLQ (0.41) POLQHDAC8SMN1; SMN2HDAC1HDAC6
SCHEMBL24914563 0.81 POLQ (0.31) POLQ
SCHEMBL29704540 0.79 HDAC8 (0.36) HDAC8HDAC1HDAC6
SCHEMBL29028501 0.79 GPBAR1 (0.34) HDAC8
SCHEMBL21705019 0.79 HDAC8 (0.36) HDAC8HDAC1HDAC6
SCHEMBL29381908 0.79 HDAC8 (0.36) HDAC8HDAC1HDAC6

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
WO-2023284645-A1 AMIDE COMPOUND AND USE THEREOF 沈阳化工大学 2023-01-19 WO disclosed