SCHEMBL30361663

SCHEMBL30361663

CSc1nc2c(c(OCC(=O)NC34CC5CC(CC(C5)C3)C4)n1)CCC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRK1 P41145 1/20 0.40
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
DHODH Q02127 1/20 0.38

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
SCHEMBL23907971 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL30361500 0.98 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL23907978 0.98 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL23907996 0.88 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL23908010 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL23907980 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL23884322 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL23907989 0.79 DHODH (0.54) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL30361625 0.79 DHODH (0.54) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL23907985 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTNPSR1

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-115916175-A Novel 2-pyrimidinone analogs as potent antiviral agents against alphaviruses 南方研究院 2023-04-04 CN disclosed