SCHEMBL24922950

SCHEMBL24922950

CCn1cc(CNC(=O)CCCCCC(C)(C)C)nn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
GLS O94925 1/20 0.37
EPHX2 P34913 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL27015161 0.90 HDAC1 (0.44) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24096089 0.87 EPHX2 (0.49) EPHX2
SCHEMBL24380526 0.87 EPHX2 (0.49) EPHX2
SCHEMBL26721202 0.85 GBA1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL27015159 0.84 HDAC1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL27015297 0.83 GBA1 (0.44) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL19535085 0.80 GBA1 (0.53) EPHX2
SCHEMBL17369045 0.79 GLS (0.45) GLS
SCHEMBL24380517 0.79 GBA1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24380531 0.78 HDAC1 (0.35) HDAC1GLSCA12CA1CA2

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-2023006084-A1 ANTI-DLL3 ANTIBODY AND PREPARATION METHOD THEREFOR, DRUG CONJUGATE AND APPLICATION THEREOF 上海复旦张江生物医药股份有限公司 2023-02-02 WO disclosed