SCHEMBL30059620

SCHEMBL30059620

CC1(C)NC(=O)c2cc(F)c(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
MOGAT2 Q3SYC2 6/20 0.34
HTT P42858 1/20 0.30
AKR1B1 P15121 1/20 0.30
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 1/20 0.30

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
SCHEMBL30934959 0.76 CDC7 (0.37) TGM2BCHECES1ALDH1A1ALDH2
SCHEMBL17221433 0.73 GRM5 (0.43) TGM2BCHECES1ALDH1A1ALDH2
SCHEMBL14157615 0.72 BCHE (0.34) BCHECES1ABCC9KCNJ11
SCHEMBL14992217 0.71 AKR1B1 (0.49) TGM2MKNK1MKNK2MOGAT2AKR1B1
SCHEMBL1476086 0.71 TDP2 (0.46) TGM2MKNK1MKNK2CES1ALDH1A1
SCHEMBL14991900 0.71 PARP1 (0.42) TGM2MKNK1MKNK2MOGAT2AKR1B1
SCHEMBL30029469 0.71 TGM2 (0.46) TGM2MKNK1MKNK2CES1ALDH1A1
SCHEMBL17141573 0.71 TGM2 (0.46) TGM2MKNK1MKNK2CES1ALDH1A1
SCHEMBL29657028 0.71 PARP1 (0.42) TGM2MKNK1MKNK2MOGAT2AKR1B1
SCHEMBL31381594 0.69 CES1 (0.62) TGM2BCHECES1ALDH1A1ALDH2

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-2022253252-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON BIOTECH CO., LTD. (CN) 2022-12-08 WO disclosed