SCHEMBL29270820

SCHEMBL29270820

CC(C)(C[C@H]1CSc2cc(F)c(-c3noc(C(C)(C)C#N)n3)cc2NC1=O)NC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.33
▸ HDAC8 Q9BY41 6/20 0.33
▸ HDAC6 Q9UBN7 6/20 0.33
▸ HDAC5 Q9UQL6 3/20 0.31

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
SCHEMBL29270822 0.81 PLAT (0.30) —
SCHEMBL29270832 0.80 S1PR1 (0.32) HDAC1HDAC8HDAC6HDAC5
SCHEMBL26962612 0.79 HDAC6 (0.38) HDAC1HDAC8HDAC6HDAC5
SCHEMBL29797029 0.79 HDAC6 (0.38) HDAC1HDAC8HDAC6HDAC5
SCHEMBL29270801 0.79 LMNA (0.35) HDAC1HDAC8HDAC6
SCHEMBL29270754 0.78 AKR1B1 (0.32) —
SCHEMBL29270739 0.76 — —
SCHEMBL29270708 0.75 TP53 (0.34) HDAC1HDAC8HDAC6
SCHEMBL29270724 0.73 SSTR4 (0.36) HDAC1HDAC8HDAC6
SCHEMBL29270757 0.70 CYP2C9 (0.33) —

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-116964048-A Bicyclic tetrahydroazepine derivatives for the treatment of cancer 豪夫迈·罗氏有限公司 2023-10-27 — — CN disclosed
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