SCHEMBL30828952

SCHEMBL30828952

COc1c(Cl)nc(C)nc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
CYP3A4 P08684 4/20 0.43
TSHR P16473 2/20 0.43
NPY5R Q15761 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL26646985 1.00 MTOR (0.48) MTORSMN1; SMN2LMNAMAPK1POLB
SCHEMBL12463160 0.86 SMN1; SMN2 (0.58) MTORSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL20154109 0.82 NPSR1 (0.49) SMN1; SMN2LMNAMAPK1POLBKDM4E
SCHEMBL26647309 0.81 MTOR (0.46) MTORSMN1; SMN2LMNAMAPK1POLB
SCHEMBL30068164 0.81 MTOR (0.46) MTORSMN1; SMN2LMNAMAPK1POLB
SCHEMBL26646837 0.80 CTSK (0.54) MTORSMN1; SMN2MAPK1POLBKDM4E
SCHEMBL30067892 0.80 CTSK (0.54) MTORSMN1; SMN2MAPK1POLBKDM4E
SCHEMBL30068009 0.80 PDE10A (0.50) MTORSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL26646960 0.80 PDE10A (0.50) MTORSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL26770486 0.79 TGFBR1 (0.39) MTORALDH1A1NPY5RKMT2A

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
CN-117794529-A POLO-like kinase 4 inhibitors 欧瑞克制药公司 2024-03-29 CN disclosed