SCHEMBL28669136

SCHEMBL28669136

CCOC(=O)c1cc2ccccc2n1CO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 6/20 0.70
NOD1 Q9Y239 6/20 0.70
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
KDM4E B2RXH2 3/20 0.67
CRHBP P24387 1/20 0.67
CRHR2 Q13324 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
F10 P00742 3/20 0.61
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL3259707 0.90 NOD2 (0.71) NOD2NOD1KMT2AMEN1KDM4E
SCHEMBL6752352 0.89 KDM4E (0.71) NOD2NOD1KMT2AMEN1KDM4E
SCHEMBL15622712 0.86 KDM4E (0.68) NOD2NOD1KMT2AMEN1KDM4E
SCHEMBL18202169 0.86 MEN1 (0.74) NOD2NOD1KMT2AMEN1KDM4E
SCHEMBL7425465 0.86 MEN1 (0.79) NOD2NOD1KMT2AMEN1KDM4E
SCHEMBL25955240 0.86 NOD2 (0.67) NOD2NOD1KMT2AMEN1KDM4E
SCHEMBL16201674 0.86 MEN1 (0.74) NOD2NOD1KMT2AMEN1KDM4E
SCHEMBL13742183 0.85 KDM4E (0.70) NOD2NOD1KMT2AMEN1KDM4E
SCHEMBL18322286 0.85 KDM4E (0.73) NOD2NOD1KMT2AMEN1KDM4E
SCHEMBL30489155 0.85 KDM4E (0.73) NOD2NOD1KMT2AMEN1KDM4E

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-109748840-B Synthetic method of 2-substituted indole derivative 中国医学科学院药物研究所 2021-12-07 CN disclosed