SCHEMBL25810345

SCHEMBL25810345

O=C(O)c1cc2ccc(NCCNc3ccccc3)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.63
BCL2L1 Q07817 1/20 0.55
DRD4 P21917 1/20 0.47

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
SCHEMBL25810716 0.87 HDAC1 (0.57) HDAC1BCL2L1
SCHEMBL3568396 0.74 HDAC1 (0.62) HDAC1BCL2L1
SCHEMBL16396231 0.72 HDAC1 (0.55) HDAC1BCL2L1
SCHEMBL93858 0.72 BCL2L1 (1.00) HDAC1BCL2L1
SCHEMBL29438783 0.72 BCL2L1 (1.00) HDAC1BCL2L1
SCHEMBL15697540 0.72 BCL2L1 (0.66) HDAC1BCL2L1
SCHEMBL3562088 0.72 BCL2L1 (0.49) HDAC1BCL2L1
SCHEMBL153935 0.72 BCL2L1 (0.59) HDAC1BCL2L1
SCHEMBL31435451 0.72 BCL2L1 (0.59) HDAC1BCL2L1
SCHEMBL1888753 0.71 HDAC1 (1.00) HDAC1

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-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed