SCHEMBL26530456

SCHEMBL26530456

CSc1ncc(C#CCCCC(=O)NC(C(=O)NCC=O)C(C)C)cn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL25432699 0.85 MMP2 (0.39) —
SCHEMBL25046493 0.82 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24642861 0.81 SMN1; SMN2 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26504724 0.77 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24642915 0.77 FOLH1 (0.32) —
SCHEMBL24642859 0.74 TDP1 (0.36) —
SCHEMBL26528447 0.74 MMP2 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30029253 0.74 EGLN1 (0.37) —
SCHEMBL26527792 0.72 EGLN1 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25363093 0.72 MMP2 (0.43) —

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
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP disclosed
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