SCHEMBL30132053

SCHEMBL30132053

CN(CC(=O)N1Cc2ccccc2C1)Cc1nc2c(cnn2C)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.42
TNKS2 Q9H2K2 4/20 0.42
KMT2A Q03164 2/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.40
AKT1 P31749 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PDE9A O76083 4/20 0.37
PDE1C Q14123 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
NLRP3 Q96P20 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL23723707 1.00 TNKS (0.42) TNKSTNKS2KMT2AALPLALPI
SCHEMBL23749881 0.87 TNKS (0.47) TNKSTNKS2KMT2AALPLALPI
SCHEMBL23723704 0.85 KMT2A (0.42) TNKSTNKS2KMT2AALPLALPI
SCHEMBL26521975 0.84 MAPT (0.46) ALDH1A1AKT1KDM4EPOLBL3MBTL1
SCHEMBL30132060 0.82 KMT2A (0.60) TNKS2KMT2AALPLALPIALDH1A1
SCHEMBL26527738 0.81 GAA (0.39) KMT2AALDH1A1KDM4EMEN1NLRP3
SCHEMBL23723853 0.81 TNKS (0.40) TNKSTNKS2KMT2AALPLALPI
SCHEMBL23723639 0.80 ALDH1A1 (0.52) KMT2AALPLALPIALDH1A1LMNA
SCHEMBL30368715 0.79 KMT2A (0.45) TNKSTNKS2KMT2AALPLALPI
SCHEMBL23723509 0.78 KMT2A (0.41) TNKSTNKS2KMT2AALPLALPI

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
EP-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed