SCHEMBL30725543

SCHEMBL30725543

O=C1Nc2ccccc2C1(O)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
GSK3B P49841 1/20 0.51
POLB P06746 2/20 0.47
CASP6 P55212 1/20 0.47
ATM Q13315 1/20 0.47
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
KCNH2 Q12809 1/20 0.41
IDO1 P14902 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
TDO2 P48775 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
SCHEMBL24281107 1.00 KMT2A (0.58) KMT2AMEN1GSK3BPOLBCASP6
SCHEMBL2499348 0.82 IDO1 (0.47) KMT2AMEN1GSK3BPOLBCASP6
SCHEMBL29143018 0.82 TP53 (0.62) KMT2AMEN1GSK3BPOLBTP53
SCHEMBL29143002 0.82 GAA (0.55) KMT2AMEN1GSK3BPOLBCASP6
SCHEMBL30725601 0.82 TP53 (0.62) KMT2AMEN1GSK3BPOLBTP53
SCHEMBL29143012 0.80 KMT2A (0.51) KMT2AMEN1GSK3BPOLBCASP6
SCHEMBL27019627 0.80 KMT2A (0.51) KMT2AMEN1GSK3BPOLBCASP6
SCHEMBL24280961 0.78 KMT2A (0.53) KMT2AMEN1POLBCASP6ATM
SCHEMBL24281033 0.78 KMT2A (0.53) KMT2AMEN1POLBCASP6ATM
SCHEMBL24280918 0.78 KMT2A (0.53) KMT2AMEN1POLBCASP6ATM

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-117447393-A Preparation method of intermediate of Rayleigh Malun 浙江雅辰药物科技股份有限公司 2024-01-26 CN disclosed