SCHEMBL29433320

SCHEMBL29433320

CC1=NN(c2ccc(C(F)(F)F)cc2)C(=O)C1C(=O)Nc1cccc(-c2cnccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 11/20 0.57
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
ABL1 P00519 1/20 0.41
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
FYN P06241 1/20 0.39
EPHX2 P34913 1/20 0.38
BRAF P15056 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL21294516 1.00 ACSS2 (0.57) ACSS2FGFR3KDRABL1MAPT
SCHEMBL27281705 0.92 ACSS2 (0.58) ACSS2FGFR3KDRABL1GAA
SCHEMBL29433408 0.92 ACSS2 (0.58) ACSS2FGFR3KDRABL1GAA
SCHEMBL21294542 0.92 ACSS2 (0.58) ACSS2FGFR3KDRABL1GAA
SCHEMBL21305756 0.91 ACSS2 (0.53) ACSS2FGFR3KDRABL1FYN
SCHEMBL27281961 0.91 ACSS2 (0.53) ACSS2FGFR3KDRABL1FYN
SCHEMBL29433424 0.89 ACSS2 (0.60) ACSS2MAPT
SCHEMBL21294468 0.89 ACSS2 (0.60) ACSS2MAPT
SCHEMBL21305668 0.87 ACSS2 (0.67) ACSS2ABL1MAPTFYNBRAF
SCHEMBL21294438 0.84 ACSS2 (0.57) ACSS2BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566092-B ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2025-02-25 CN disclosed
CN-114008025-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-02-01 CN disclosed