SCHEMBL30864147

SCHEMBL30864147

CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 5/20 0.75
AURKA O14965 3/20 0.75
MAPK1 P28482 1/20 0.69
RXFP1 Q9HBX9 3/20 0.66
GAA P10253 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
PAX8 Q06710 1/20 0.64
CREBBP Q92793 1/20 0.63
MAPT P10636 4/20 0.63
TP53 P04637 4/20 0.63
PKM P14618 1/20 0.62

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
SCHEMBL18998183 1.00 AURKB (0.75) AURKBAURKAMAPK1RXFP1GAA
SCHEMBL3655078 0.91 MAPT (0.70) AURKBAURKAMAPK1RXFP1GAA
SCHEMBL3787191 0.89 MAPT (0.74) AURKBAURKAMAPK1RXFP1GAA
SCHEMBL403264 0.89 AURKB (0.67) AURKBAURKAMAPK1RXFP1GAA
SCHEMBL402960 0.89 MAPT (0.67) AURKBAURKAMAPK1RXFP1GAA
SCHEMBL529114 0.89 AURKB (0.66) AURKBAURKAMAPK1RXFP1GAA
SCHEMBL22589555 0.88 TP53 (0.73) AURKBAURKAMAPK1RXFP1GAA
SCHEMBL3782311 0.88 GAA (0.67) AURKBAURKAMAPK1RXFP1GAA
SCHEMBL20390760 0.88 AURKB (0.65) AURKBAURKAMAPK1RXFP1GAA
SCHEMBL23575213 0.87 MAPT (0.81) AURKBAURKARXFP1GAASMN1; SMN2

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-117771374-A Application of NUDT1 in preparing medicine for treating MYC high expression or MYC amplified tumor 武汉大学 2024-03-29 CN disclosed