SCHEMBL24890484

SCHEMBL24890484

CC1CN(c2ccc(C(=O)Nc3ccccc3N)cn2)CCN1C(=O)OCc1ccc(C2C[C@@H]2NCC2CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.74
HDAC2 Q92769 2/20 0.74
HDAC3 O15379 1/20 0.74
CYP2C9 P11712 1/20 0.74
SLC6A4 P31645 1/20 0.74
SLC6A3 Q01959 1/20 0.74
MAPKAPK3 Q16644 1/20 0.74
HDAC8 Q9BY41 1/20 0.74
KDM1A O60341 2/20 0.53

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
SCHEMBL24890711 1.00 HDAC1 (0.74) HDAC1HDAC2HDAC3CYP2C9SLC6A4
SCHEMBL24890904 1.00 HDAC1 (0.74) HDAC1HDAC2HDAC3CYP2C9SLC6A4
SCHEMBL24890601 1.00 HDAC1 (0.74) HDAC1HDAC2HDAC3CYP2C9SLC6A4
SCHEMBL24890710 0.90 HDAC1 (0.58) HDAC1HDAC2HDAC3CYP2C9SLC6A4
SCHEMBL24890498 0.90 HDAC1 (0.58) HDAC1HDAC2HDAC3CYP2C9SLC6A4
SCHEMBL24890557 0.90 HDAC1 (0.58) HDAC1HDAC2HDAC3CYP2C9SLC6A4
SCHEMBL24890905 0.88 HDAC1 (0.85) HDAC1HDAC2HDAC3CYP2C9SLC6A4
SCHEMBL4539214 0.86 HDAC1 (1.00) HDAC1HDAC2HDAC3CYP2C9SLC6A4
SCHEMBL4535215 0.86 HDAC1 (1.00) HDAC1HDAC2HDAC3CYP2C9SLC6A4
SCHEMBL24890706 0.78 HDAC1 (0.64) HDAC1HDAC2HDAC3CYP2C9SLC6A4

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-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed