SCHEMBL29433427

SCHEMBL29433427

CC(=O)c1cccc(NC(=O)C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 10/20 0.60
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL21294420 1.00 ACSS2 (0.60) ACSS2HTTLMNAPKMMAPT
SCHEMBL29433392 0.92 ACSS2 (0.70) ACSS2HTTLMNAPKMMAPT
SCHEMBL21294510 0.92 ACSS2 (0.70) ACSS2HTTLMNAPKMMAPT
SCHEMBL21294442 0.92 ACSS2 (0.70) ACSS2HTTLMNAPKMMAPT
SCHEMBL29433393 0.92 ACSS2 (0.70) ACSS2HTTLMNAPKMMAPT
SCHEMBL21294426 0.91 ACSS2 (0.60) ACSS2HTTLMNAPKMMAPT
SCHEMBL29433610 0.86 ACSS2 (0.83) ACSS2HTTLMNAPKMMAPT
SCHEMBL21305724 0.86 ACSS2 (0.83) ACSS2HTTLMNAPKMMAPT
SCHEMBL21294428 0.83 ACSS2 (0.84) ACSS2HTTLMNAPKMMAPT
SCHEMBL29433391 0.83 ACSS2 (0.84) ACSS2HTTLMNAPKMMAPT

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