SCHEMBL26831784

SCHEMBL26831784

Cc1cc(C(=O)N(C)C)n(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
AR P10275 5/20 0.38
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PABPC1 P11940 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GFER P55789 1/20 0.34
POLB P06746 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
CECR2 Q9BXF3 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL12677941 0.79 HPGD (0.45) L3MBTL1ARLMNAALDH1A1GAA
SCHEMBL18975750 0.78 ALDH1A1 (0.40) L3MBTL1ARLMNATP53ALDH1A1
SCHEMBL3674837 0.77 TDP1 (0.46) ARALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24158738 0.76 PKM (0.41) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27316789 0.73 BRD4 (0.35) L3MBTL1ARLMNATP53POLB
SCHEMBL18976144 0.73 KMT2A (0.54) L3MBTL1ARLMNAALDH1A1GAA
SCHEMBL20581230 0.72 HRAS (0.42) ARLMNATP53ALDH1A1HTT
SCHEMBL21180776 0.72 BAZ2B (0.42) ARTP53ALDH1A1HSD17B10BACE1
SCHEMBL11199134 0.72 CYP1A2 (0.47) L3MBTL1TP53GAAKDM4EPOLB
SCHEMBL27316879 0.70 GCK (0.36) ARALDH1A1

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
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 WO disclosed
WO-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 WO disclosed